data_1jvr_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 1jvr _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -43.12 -27.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.563 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' N ' ' C ' ' A' ' 21' ' ' THR . 2.6 m-70 -69.13 -57.12 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 35.7 t-105 -67.49 -43.6 80.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.992 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tp -52.13 -36.1 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.485 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 12.0 t-20 -60.98 -23.49 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CD2' ' OH ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -97.18 -32.53 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 7.4 tp -76.54 -33.69 58.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.25 -50.9 71.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.01 99.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 83' ' ' ILE . . . -59.68 -38.84 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -75.86 -19.6 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -78.49 -29.54 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 86' ' ' ILE . 60.2 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.403 ' CZ ' HD12 ' A' ' 28' ' ' LEU . 34.6 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.526 0.203 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 17.5 pt20 -64.22 -52.19 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -62.11 -17.0 56.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD22 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -85.3 -56.01 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.99 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -35.38 75.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CE1' HG12 ' A' ' 72' ' ' ILE . 24.5 t80 -84.46 -37.97 20.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.56 HD13 ' CZ3' ' A' ' 24' ' ' TRP . 9.8 mt -65.76 -49.5 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.29 -30.17 68.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.504 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.4 tt -64.48 -51.26 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -62.1 -30.66 71.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.52 -29.01 34.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -10.45 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.59 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 3.7 m -121.61 83.7 41.98 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.41 1.069 . . . . 0.0 110.4 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.82 3.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.566 ' CG2' ' CG2' ' A' ' 56' ' ' THR . 0.1 OUTLIER -118.4 -21.12 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 56' ' ' THR . 28.2 p-90 -96.09 -22.41 17.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.454 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -68.69 -53.96 19.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.646 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.45 -59.59 5.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.646 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.0 -10.19 21.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.4 tp 36.91 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.91 115.26 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.605 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 3.5 t80 -61.25 -12.6 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.5 p -60.34 -24.75 65.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -92.24 -18.41 23.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.1 -61.07 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.94 -20.92 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -45.41 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.504 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.19 -31.24 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.561 HG12 ' CE1' ' A' ' 49' ' ' PHE . 12.0 mt -58.54 119.74 38.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.6 Cg_endo -74.93 48.53 2.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.779 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 24.69 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.368 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.72 -3.97 5.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.554 1.158 . . . . 0.0 111.027 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.551 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 33.1 t80 -37.2 148.53 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.94 -168.56 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . . . 54.18 176.56 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -99.13 17.94 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.311 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.55 -46.56 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 76' ' ' TYR . 34.0 t -63.49 -39.64 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -55.4 -27.09 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.242 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 34' ' ' LEU . 6.6 mt -85.93 -39.37 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.228 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.412 ' CG1' ' CE1' ' A' ' 27' ' ' PHE . 60.5 mt -70.0 -37.51 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -53.29 -29.39 33.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.481 HD12 ' CD2' ' A' ' 34' ' ' LEU . 13.5 mt -70.75 -22.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -86.75 -43.31 12.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.46 -48.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -22.14 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -41.23 -40.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.607 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.449 ' CE1' ' H ' ' A' ' 65' ' ' TYR . 5.3 m-70 -62.54 -48.01 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CH2' HD13 ' A' ' 50' ' ' LEU . 27.7 t-105 -68.26 -43.0 78.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tp -52.76 -35.91 57.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 50.4 t30 -64.16 -18.46 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.487 ' CE1' HG12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -101.76 -34.52 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.77 -24.11 60.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.19 -59.56 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.51 63.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' N ' HG22 ' A' ' 83' ' ' ILE . . . -68.85 -40.72 79.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -10.01 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.3 -3.35 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 5.5 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.542 0.211 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.66 -52.14 48.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -4.38 25.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -99.4 -39.28 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -67.49 -10.89 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 2.7 ptm85 -83.06 -41.76 18.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.684 ' CZ ' ' CD1' ' A' ' 72' ' ' ILE . 54.0 t80 -66.48 -34.77 78.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.546 HD13 ' CH2' ' A' ' 24' ' ' TRP . 21.4 mt -69.77 -56.35 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -26.56 35.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 71' ' ' LEU . 2.4 tt -67.34 -54.66 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.03 -30.58 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.38 -14.0 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -74.22 -3.72 31.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.528 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.0 t -149.87 95.59 3.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 67.2 6.02 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.447 1.761 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.529 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.3 -22.26 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 12.8 p-90 -94.62 -20.55 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -56.67 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.638 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -44.41 -59.36 3.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.638 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -74.95 -14.42 21.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 63' ' ' ILE . 2.8 tp 38.24 89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.486 ' HD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -165.03 115.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE2' HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -61.27 -11.85 11.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -17.95 63.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.525 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -93.86 -17.48 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -66.74 -61.74 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.73 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -66.02 -39.55 90.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.32 -15.29 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.684 ' CD1' ' CZ ' ' A' ' 49' ' ' PHE . 2.1 mt -117.29 80.24 12.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.31 3.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.22 40.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.97 1.49 5.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.533 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 6.7 t80 -152.34 70.18 7.5 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.447 0.734 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.3 18.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 159.86 -171.04 36.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -57.03 -31.84 65.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.544 0.791 . . . . 0.0 110.24 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.54 HG12 ' CG ' ' A' ' 49' ' ' PHE . 1.2 t -70.53 -58.22 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' ASN . 7.1 t -56.3 -39.25 59.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.01 -39.6 78.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 12.0 mt -70.66 -31.3 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.487 HG12 ' CE1' ' A' ' 27' ' ' PHE . 8.9 mt -80.99 -28.25 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.245 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' VAL . 1.1 m120 -63.02 -37.42 87.1 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 34' ' ' LEU . 13.6 mt -60.04 -37.21 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.572 HD11 ' CE2' ' A' ' 65' ' ' TYR . 29.1 mt -63.77 -43.9 95.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.69 -50.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -32.4 63.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.8 t30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -60.76 -40.7 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.468 ' CE1' HD13 ' A' ' 68' ' ' LEU . 12.5 t-80 -61.16 -45.43 94.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 35.9 t-105 -70.82 -43.61 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.039 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -52.54 -31.08 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.471 ' OD1' ' CD2' ' A' ' 87' ' ' LEU . 39.7 t30 -68.1 -24.91 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.618 ' CZ ' ' CD2' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -94.03 -34.27 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.909 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 18.3 tp -75.13 -13.93 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' TYR . 23.7 mt-30 -82.76 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.39 -32.45 26.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.63 69.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.562 1.164 . . . . 0.0 109.367 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -80.99 -18.51 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -7.84 59.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 86' ' ' ILE . 72.2 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.477 0.179 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -55.36 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -18.28 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.618 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.33 -57.57 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.2 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -50.66 9.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.5 t80 -61.32 -38.72 87.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.56 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 12.1 mt -65.59 -53.19 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -26.52 62.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.493 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.0 tt -70.3 -54.51 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -60.99 -30.81 70.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.28 -30.41 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -8.29 45.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.591 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 3.5 m -123.87 83.56 54.81 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 53.58 3.39 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.564 1.823 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.567 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -117.6 -21.28 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 56' ' ' THR . 25.3 p-90 -96.28 -23.43 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -67.73 -54.53 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.663 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -47.23 -60.37 4.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -74.98 -10.25 21.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' TRP . 2.1 tp 36.98 88.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -157.1 117.68 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.507 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -64.51 -9.83 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -33.42 76.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.528 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -83.92 -17.59 40.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.468 HD13 ' CE1' ' A' ' 23' ' ' HIS . 5.6 mt -65.73 -61.44 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.83 -19.48 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -73.6 -45.46 52.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.5 -34.38 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 49' ' ' PHE . 18.7 mt -52.7 118.4 13.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -75.04 48.56 2.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 73' ' ' PRO . 7.0 tptp 27.3 89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.76 -2.02 5.6 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.543 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 44.1 t80 -35.93 148.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.596 0.821 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.9 -173.8 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 21.7 13.5 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' CB ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -58.6 -42.83 85.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 76' ' ' TYR . 16.7 t -69.41 -39.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -57.53 -30.23 65.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.463 HG12 ' CD1' ' A' ' 34' ' ' LEU . 6.8 mt -82.52 -52.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.425 HD13 ' CE2' ' A' ' 49' ' ' PHE . 62.3 mt -61.95 -28.91 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.525 HD22 ' NZ ' ' A' ' 89' ' ' LYS . 12.6 t30 -59.89 -33.97 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 34' ' ' LEU . 7.4 mt -63.96 -34.19 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' ' OD1' ' A' ' 26' ' ' ASN . 20.0 mt -72.4 -43.52 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.0 t -70.25 -49.32 55.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.525 ' NZ ' HD22 ' A' ' 85' ' ' ASN . 0.0 OUTLIER -54.26 -20.75 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -59.34 -49.33 78.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' C ' ' ND1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -59.85 -43.21 94.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.573 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 26.6 t-105 -67.18 -44.22 80.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.16 -34.86 46.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 63.4 t30 -64.99 -20.01 66.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.201 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.577 ' CD2' ' OH ' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -97.61 -34.88 10.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 14.0 tp -73.99 -26.58 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.58 -55.57 12.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -56.37 -42.37 77.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.435 ' N ' HG21 ' A' ' 83' ' ' ILE . . . -60.05 -36.5 77.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -76.37 -16.29 59.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -83.92 -17.61 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' CD2' HD12 ' A' ' 86' ' ' ILE . 27.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.495 0.188 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.458 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 1.7 pp0? -62.92 -48.53 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.458 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 13.8 pm0 -67.43 -24.54 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.572 HD22 ' CZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -78.55 -54.9 5.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -52.67 -20.17 2.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -35.11 41.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.579 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.8 t80 -83.37 -33.63 25.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.582 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 6.9 mt -69.24 -51.84 33.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -26.85 46.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.506 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.6 tt -68.19 -53.2 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.566 ' CB ' ' CZ2' ' A' ' 59' ' ' TRP . . . -61.13 -31.71 71.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -32.21 45.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -9.98 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.605 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 3.7 m -121.44 82.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.4 3.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.557 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -117.88 -21.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 56' ' ' THR . 25.7 p-90 -95.88 -23.25 16.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.582 1.176 . . . . 0.0 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.476 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -68.18 -54.3 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.15 -60.17 4.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.6 Cg_endo -74.94 -9.88 21.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.0 tp 36.62 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -160.47 115.62 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.577 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.7 t80 -62.28 -12.09 18.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 t -62.04 -24.42 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.521 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -91.93 -18.34 23.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD11 ' CD2' ' A' ' 65' ' ' TYR . 5.1 mt -64.8 -61.07 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.34 -20.2 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -74.35 -43.08 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.76 -40.87 69.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.579 HG12 ' CE1' ' A' ' 49' ' ' PHE . 14.1 mt -49.52 105.65 0.53 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.93 108.01 2.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.423 1.749 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.6 tttm 38.38 62.18 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.23 155.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.541 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -125.86 170.97 8.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.541 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.6 Cg_endo -74.92 -167.8 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.95 -169.91 0.11 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.28 17.86 21.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.236 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -61.52 -48.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.53 -38.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.9 -33.65 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 34' ' ' LEU . 7.1 mt -77.65 -19.13 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.452 HD11 ' CD1' ' A' ' 72' ' ' ILE . 71.1 mt -89.21 -37.2 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -54.01 -29.33 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.494 HD12 ' CD2' ' A' ' 34' ' ' LEU . 13.1 mt -68.96 -30.58 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 19.3 mt -74.95 -43.86 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -64.28 -50.55 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -55.21 -24.78 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -60.76 -49.32 77.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -58.54 -41.38 85.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.558 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 32.7 t-105 -70.56 -43.94 68.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.79 -29.59 28.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.47 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 50.2 t30 -67.73 -24.4 65.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.371 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 1.4 t80 -95.46 -36.88 11.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 12.0 tp -69.17 -25.53 64.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -69.62 -57.81 4.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.469 ' CB ' HG21 ' A' ' 83' ' ' ILE . . . -56.69 -36.88 70.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.51 84.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.171 . . . . 0.0 109.248 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -74.19 -16.25 60.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.943 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -10.99 51.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.515 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 25.0 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.536 0.208 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.73 -56.72 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.42 ' HG3' ' NH1' ' A' ' 79' ' ' ARG . 1.6 mm-40 -59.47 -18.2 37.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.454 HD22 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.82 -56.47 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -53.73 -21.19 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -72.92 -36.71 67.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CZ ' HG13 ' A' ' 72' ' ' ILE . 27.9 t80 -83.84 -34.44 24.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.565 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 7.7 mt -69.87 -56.36 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -28.89 54.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.55 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.0 tt -65.28 -52.19 55.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -56.86 -32.34 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.38 -13.86 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -74.87 -3.22 30.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.51 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.6 t -151.15 96.36 3.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 67.73 5.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.758 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.539 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -118.62 -21.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 11.1 p-90 -96.23 -20.49 18.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -56.59 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -44.85 -59.18 4.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.04 -14.26 21.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.445 ' O ' HG22 ' A' ' 63' ' ' ILE . 4.2 tp 39.15 91.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' HD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -166.3 113.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.84 -14.03 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.5 p -59.57 -23.91 63.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.966 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -91.22 -17.86 25.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.11 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -20.96 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 t -76.01 -37.85 57.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.55 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.62 -42.01 78.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.559 HG13 ' CZ ' ' A' ' 49' ' ' PHE . 62.1 mt -51.28 123.74 21.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.494 1.787 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 20.38 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.228 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.04 -10.64 2.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.582 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -45.68 160.19 0.28 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 0.718 . . . . 0.0 111.029 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -61.74 177.35 5.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER 83.11 -5.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.1 t -131.46 -82.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 72' ' ' ILE . 5.8 t -57.19 -38.97 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.28 -17.66 8.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.515 ' CG1' ' CD1' ' A' ' 34' ' ' LEU . 5.2 mt -102.12 -37.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.9 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 44.4 p-10 -52.92 -23.63 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 34' ' ' LEU . 25.9 mt -77.84 -33.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 25.5 mt -69.26 -42.72 75.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.54 -50.08 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -55.39 -30.38 60.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -51.15 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -59.11 -41.81 89.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.498 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 45.0 t-105 -67.8 -43.68 79.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.96 -30.83 37.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.481 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 11.3 t-20 -67.93 -19.14 64.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -97.44 -33.44 11.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.6 tp -77.27 -26.9 52.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.49 -56.36 7.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.403 ' CB ' HD22 ' A' ' 87' ' ' LEU . . . -54.49 -36.79 64.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.48 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -70.34 -26.98 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.96 -17.77 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -25.32 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.49 ' CD2' HD13 ' A' ' 86' ' ' ILE . 26.9 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.463 0.173 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -52.66 56.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -61.69 -12.4 16.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.587 HD22 ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -90.89 -54.93 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -56.92 -24.87 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 8.2 ptm180 -84.49 -42.29 15.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 34.2 t80 -60.53 -39.01 86.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.498 HD13 ' CZ3' ' A' ' 24' ' ' TRP . 12.7 mt -70.15 -54.46 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.02 60.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.559 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.8 tt -67.12 -53.98 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.92 -31.77 63.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.54 -13.66 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.14 -4.51 33.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.502 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.5 t -150.2 96.45 3.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 67.99 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.427 1.751 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.535 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.41 -22.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 11.0 p-90 -94.7 -23.14 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.01 -55.28 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.649 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.92 -59.93 3.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.649 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.04 -11.02 21.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.7 tp 37.83 89.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.56 115.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CE2' HD11 ' A' ' 68' ' ' LEU . 9.6 t80 -61.74 -11.8 13.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -60.67 -22.56 64.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.518 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.4 tt -92.07 -17.19 25.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 65' ' ' TYR . 4.9 mt -69.94 -62.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.15 -21.48 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -71.08 -38.59 72.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.559 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.33 -41.82 85.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.581 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 6.4 mt -54.74 112.24 3.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.96 48.2 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.8 OUTLIER 29.43 89.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.197 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.46 -3.24 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.618 ' CE2' ' CD1' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -37.53 154.75 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.59 -172.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.506 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -100.64 20.0 15.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -57.01 -42.89 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 t -74.85 -38.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -58.55 -15.39 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 4.4 mt -101.73 -45.73 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.438 1.087 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.58 HG13 ' CE1' ' A' ' 27' ' ' PHE . 86.0 mt -67.27 -34.23 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 28.4 p-10 -55.85 -25.65 43.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.49 HD13 ' CD2' ' A' ' 34' ' ' LEU . 13.5 mt -73.47 -30.52 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 18.8 mt -74.12 -44.32 54.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.64 -49.87 80.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -14.83 62.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.83 -13.26 31.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.523 ' CE1' ' CG1' ' A' ' 63' ' ' ILE . 49.3 m80 -102.68 -38.83 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 24.2 t-105 -72.79 -43.72 62.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.054 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.27 -29.24 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.558 ' OD1' ' CD1' ' A' ' 87' ' ' LEU . 18.3 t-20 -67.91 -20.98 65.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.63 ' CE1' ' CD2' ' A' ' 46' ' ' LEU . 1.5 t80 -100.77 -35.91 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 12.3 tp -69.26 -30.82 69.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.84 -48.64 79.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -63.31 -45.2 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -19.57 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -79.79 -22.37 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' CD1' HG12 ' A' ' 83' ' ' ILE . 8.9 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.462 0.172 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -85.88 -59.11 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -16.94 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.63 ' CD2' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -82.21 -54.7 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.11 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.224 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -69.9 -48.79 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 72' ' ' ILE . 32.7 t80 -66.49 -36.74 83.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 16.6 mt -70.39 -58.81 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -26.09 38.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -69.45 -55.47 10.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -56.09 -31.3 63.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.79 -13.94 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.39 -7.06 40.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.504 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 12.4 t -150.55 97.51 3.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 68.64 5.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.554 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -118.99 -21.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 10.1 p-90 -95.25 -22.23 17.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 -56.33 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.81 -59.92 3.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -74.94 -13.19 21.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.379 1.726 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.523 ' CG1' ' CE1' ' A' ' 23' ' ' HIS . 2.6 tp 38.24 88.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -160.01 116.89 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.614 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 7.1 t80 -62.38 -11.47 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -25.18 68.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.522 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -90.77 -18.65 24.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mt -67.67 -61.79 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.61 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -73.54 -25.72 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -74.18 -0.98 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.57 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 10.3 mt -117.21 79.3 11.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.443 ' HD2' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 99.35 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER 77.0 151.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.84 116.94 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -93.77 -178.27 0.81 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.98 179.73 5.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.829 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.36 -170.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.448 ' NE ' ' OE2' ' A' ' 82' ' ' GLU . 10.6 mtt180 -101.61 20.83 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -58.17 -44.89 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.478 HG23 ' CG2' ' A' ' 72' ' ' ILE . 54.9 t -66.94 -39.47 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 79' ' ' ARG . 1.4 mt-10 -54.95 -29.14 55.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 27' ' ' PHE . 9.7 mt -80.79 -17.96 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.479 ' CD1' HD13 ' A' ' 72' ' ' ILE . 28.3 mt -96.72 -37.75 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -55.35 -28.66 55.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.469 HD13 ' CD2' ' A' ' 34' ' ' LEU . 12.1 mt -67.55 -38.07 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.558 ' CD1' ' OD1' ' A' ' 26' ' ' ASN . 30.4 mt -66.39 -42.98 87.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.6 t -67.74 -48.64 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -3.11 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.2 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.594 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 4.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 88.11 -15.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.569 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -119.62 -51.8 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.596 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.579 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 30.4 t-105 -69.76 -43.2 72.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.179 . . . . 0.0 107.998 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLN . 8.4 tp -52.36 -35.41 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.478 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 18.4 t-20 -62.34 -25.81 68.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.612 ' CD2' ' OH ' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -94.79 -34.28 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 21.8 tp -78.25 -24.3 46.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' LEU . 28.6 mt-30 -70.62 -59.28 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' CB ' HD22 ' A' ' 87' ' ' LEU . . . -55.18 -44.4 75.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.06 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -83.67 -18.03 39.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.47 -18.85 28.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.521 ' N ' HD21 ' A' ' 34' ' ' LEU . 4.0 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.512 0.196 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -41.96 85.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.84 61.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.589 HD22 ' CE2' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -82.74 -56.16 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -52.99 -19.76 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -82.2 -37.05 26.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 32.0 t80 -72.92 -41.51 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.579 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 15.3 mt -68.28 -53.87 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -55.5 -24.75 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.4 tt -72.0 -59.31 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -53.73 -29.6 40.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.26 -11.75 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.85 -0.71 25.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.429 1.08 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.511 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.2 t -152.83 95.76 3.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 67.81 5.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.503 1.791 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.531 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.8 -22.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 12.4 p-90 -94.98 -21.71 18.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -70.54 -54.14 13.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.65 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -46.02 -59.49 4.71 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -10.67 21.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.7 tp 37.23 89.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.08 114.47 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.612 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -59.07 -15.16 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -23.78 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.509 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -93.36 -19.13 21.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.46 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 -20.52 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -39.69 72.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.02 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.469 ' CD2' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.71 -41.29 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.568 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 4.7 mt -55.03 116.21 10.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.95 47.0 1.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 29.02 89.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 131.94 -2.47 5.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -36.79 155.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 111.041 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.07 -168.95 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.762 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.74 -174.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.34 20.61 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.478 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -59.49 -45.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 76' ' ' TYR . 10.1 t -68.25 -39.49 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.89 -23.83 33.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 110.236 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.511 HG12 ' CD1' ' A' ' 34' ' ' LEU . 3.9 mt -92.08 -49.22 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.593 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 72.0 mt -59.85 -43.74 92.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -51.68 -36.85 48.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.208 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 34' ' ' LEU . 11.8 mt -67.16 -24.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 34.8 mt -74.53 -45.56 44.9 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.416 1.072 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.6 t -63.72 -49.92 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -19.71 10.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -41.22 -35.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.601 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -64.17 -50.19 69.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.547 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 35.8 t-105 -70.16 -43.91 69.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.6 -27.68 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.491 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 18.3 t-20 -71.01 -18.66 62.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.607 ' CZ ' ' CG1' ' A' ' 84' ' ' ILE . 0.6 OUTLIER -100.53 -34.19 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.12 -21.93 59.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.51 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.7 -35.76 63.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.3 -22.39 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -22.65 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -82.0 -8.06 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 83' ' ' ILE . 89.6 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.478 0.18 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -79.01 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -12.52 24.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD23 ' CE2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.52 -40.77 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -63.12 -21.84 66.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -71.68 -34.02 69.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.588 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 31.1 t80 -73.58 -34.79 65.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.547 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 30.0 mt -70.82 -57.43 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.3 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.9 tt -69.0 -56.51 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -54.62 -30.37 54.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.59 -13.75 34.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -74.77 -3.12 29.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.53 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.5 t -150.62 95.41 3.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 67.81 5.92 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.539 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.62 -21.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 11.5 p-90 -94.91 -22.71 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.407 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -67.96 -55.71 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.658 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -45.64 -60.18 3.7 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.658 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.99 -12.04 21.53 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 110.925 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' TRP . 2.8 tp 38.03 89.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.6 117.29 3.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HD11 ' A' ' 68' ' ' LEU . 25.9 t80 -66.06 -7.7 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -70.65 -26.85 63.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.527 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -83.64 -17.91 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 65' ' ' TYR . 5.8 mt -69.46 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 -20.76 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 t -68.65 -38.51 80.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.516 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.41 -44.28 92.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.588 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 3.8 mt -50.31 112.73 2.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 47.87 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 30.11 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.38 -2.22 5.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.6 OUTLIER -37.21 153.98 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.589 0.817 . . . . 0.0 111.052 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.443 1.759 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.68 -172.95 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.408 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 53.8 mtp85 -98.5 20.02 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 0.73 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -43.93 92.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 10.6 t -72.01 -40.3 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -28.91 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.46 HG12 ' CD1' ' A' ' 34' ' ' LEU . 6.1 mt -87.25 -60.49 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.607 ' CG1' ' CZ ' ' A' ' 27' ' ' PHE . 56.1 mt -55.45 -23.79 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.632 1.207 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' VAL . 11.2 t-20 -66.34 -27.28 67.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.22 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.34 -22.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 22.8 mt -80.42 -47.78 13.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.1 t -63.36 -49.52 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -18.25 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 t30 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 0.0 109.311 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.413 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 93.0 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER 81.92 -52.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.598 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -64.3 -49.71 70.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.574 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 46.4 t-105 -68.89 -43.99 74.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tp -52.89 -29.09 26.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 60.2 t30 -69.52 -22.43 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 65' ' ' TYR . 7.0 t80 -91.93 -37.64 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.63 -30.55 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.96 -51.29 49.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.17 92.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.505 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -63.03 -14.18 44.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.0 -20.35 18.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 8.3 tpm_? -83.66 -28.03 28.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.49 ' CD1' HG12 ' A' ' 83' ' ' ILE . 36.4 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.494 0.187 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -55.68 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -18.71 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.225 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.622 ' CD2' ' CE1' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.36 -56.6 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.42 -23.9 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.0 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' HG12 ' A' ' 72' ' ' ILE . 9.6 t80 -79.07 -38.14 37.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD13 ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -67.07 -47.19 72.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.14 69.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -64.41 -51.29 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.571 ' CB ' ' CD2' ' A' ' 68' ' ' LEU . . . -61.3 -29.07 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 tp -54.23 -22.6 12.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -76.11 -5.3 45.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.586 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 2.8 m -128.29 86.39 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 53.28 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.579 ' CG2' ' CG2' ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.27 -21.9 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 56' ' ' THR . 26.9 p-90 -95.48 -21.65 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -70.29 -52.52 22.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.54 -59.6 5.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.04 -4.96 16.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.448 1.762 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 tp 36.36 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -166.93 114.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 27' ' ' PHE . 1.4 t80 -65.2 -8.47 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -62.56 -20.51 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -93.56 -17.29 23.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.571 ' CD2' ' CB ' ' A' ' 53' ' ' ALA . 4.7 mt -65.76 -60.51 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.85 -21.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 t -76.1 -43.65 42.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -55.22 -42.76 73.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.175 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.578 HG12 ' CE1' ' A' ' 49' ' ' PHE . 41.4 mt -37.27 97.59 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.592 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.09 99.64 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 69.07 134.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -36.01 121.4 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.592 ' CE2' ' HD2' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -87.46 168.16 18.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.76 -170.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -104.05 19.6 19.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.775 . . . . 0.0 110.253 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -58.39 -47.76 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 76' ' ' TYR . 40.9 t -61.5 -38.06 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.59 -35.05 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.505 HG22 ' CB ' ' A' ' 31' ' ' ALA . 8.4 mt -70.29 -13.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.613 HG12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -100.98 -42.2 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -53.8 -24.83 16.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 34' ' ' LEU . 16.9 mt -74.14 -37.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 13.3 mt -71.77 -42.59 66.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.0 t -61.97 -49.6 83.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -61.99 -14.42 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -14.03 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.9 -36.8 6.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 28.3 t-105 -70.14 -43.84 70.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.27 -28.72 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 55.4 t30 -70.23 -20.41 63.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -99.15 -33.64 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -75.19 -32.19 61.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.79 -48.33 81.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -46.75 89.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' N ' HG21 ' A' ' 83' ' ' ILE . . . -57.35 -37.3 72.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -11.73 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -11.23 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 47.1 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.555 0.217 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.02 -53.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.83 -25.04 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -80.06 -56.92 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -54.37 -20.04 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -79.62 -38.89 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.607 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 12.5 t80 -78.58 -33.45 47.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.565 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 7.1 mt -69.83 -52.94 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.53 -28.62 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.3 tt -65.18 -51.34 61.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -62.33 -31.43 72.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -31.37 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -8.81 49.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.587 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 3.3 m -122.12 83.26 44.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.16 3.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.798 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.581 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -117.23 -21.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 56' ' ' THR . 24.1 p-90 -96.8 -23.65 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -67.65 -54.47 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.67 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.43 -60.44 4.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.396 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.67 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.0 -8.77 20.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.609 1.847 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 62' ' ' PRO . 1.9 tp 36.68 87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -157.72 116.64 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.531 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 6.5 t80 -65.42 -15.99 63.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.475 ' CB ' ' OD1' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -61.48 -23.48 65.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 110.024 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.509 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.1 tt -90.88 -19.25 23.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 70' ' ' SER . 5.5 mt -66.34 -60.21 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -21.88 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 68' ' ' LEU . 3.8 t -74.75 -43.68 53.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.82 -39.73 71.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.607 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -38.18 102.87 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 121.96 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.758 . . . . 0.0 110.969 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 73' ' ' PRO . 29.9 mtmm 31.64 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.529 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 57.65 121.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -79.67 -176.86 0.78 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.601 0.824 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.574 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 170.43 20.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.01 169.12 3.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER 72.63 6.7 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 45' ' ' GLN . 24.6 t -132.7 -82.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.8 -39.87 73.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -54.34 -22.25 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 6.8 mt -92.16 -35.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.56 HD13 ' CE2' ' A' ' 49' ' ' PHE . 20.5 mt -74.33 -36.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -54.29 -31.2 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 13.8 mt -65.54 -34.89 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 21.1 mt -73.64 -42.94 60.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.6 t -64.75 -51.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -14.22 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -61.61 -43.74 98.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.522 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.48 -41.39 94.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CZ3' ' CD1' ' A' ' 50' ' ' LEU . 33.5 t-105 -73.56 -43.09 60.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.977 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.69 -28.26 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.497 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 57.5 t30 -71.6 -21.69 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.695 ' CZ ' ' CG1' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -99.67 -35.38 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.2 tp -68.4 -26.85 65.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -54.23 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.448 ' CB ' HG21 ' A' ' 83' ' ' ILE . . . -57.2 -39.43 75.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' HG21 ' A' ' 83' ' ' ILE . . . -67.71 -24.69 65.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -13.21 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.384 1.052 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -93.04 -9.98 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CD1' HG12 ' A' ' 83' ' ' ILE . 16.7 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.532 0.206 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -55.22 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -16.75 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.567 HD22 ' CZ ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -86.48 -55.91 3.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -19.12 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.25 -25.91 55.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 72' ' ' ILE . 42.4 t80 -95.08 -36.95 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.591 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 11.7 mt -71.35 -58.62 3.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -25.11 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -70.15 -55.58 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.53 -32.37 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.78 -13.48 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -73.92 -4.05 32.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.0 t -150.88 96.6 3.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 110.377 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 68.66 5.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.548 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.44 -22.99 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 9.2 p-90 -94.26 -24.4 17.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -67.86 -55.53 12.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.678 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -44.67 -60.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.678 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -12.24 21.48 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 59' ' ' TRP . 3.0 tp 38.15 89.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -158.44 117.93 3.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.598 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 11.3 t80 -64.81 -8.84 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 p -67.75 -28.88 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.523 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.1 tt -85.53 -18.97 31.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.425 HD11 ' CE1' ' A' ' 65' ' ' TYR . 5.1 mt -70.36 -62.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.53 -19.37 5.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -72.07 -36.9 69.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.936 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.73 -43.24 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 49' ' ' PHE . 16.0 mt -56.71 115.59 10.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.1 48.44 2.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.1 mttm 28.16 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.22 -2.18 5.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.567 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -39.17 155.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.99 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.24 -173.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.52 21.67 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -59.06 -43.6 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 t -69.53 -40.26 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.44 -25.89 38.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 34' ' ' LEU . 7.9 mt -85.03 -55.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.695 ' CG1' ' CZ ' ' A' ' 27' ' ' PHE . 16.2 mt -58.75 -29.56 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.5 -34.77 73.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 83' ' ' ILE . 18.0 mt -63.74 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.513 HD13 ' CE2' ' A' ' 65' ' ' TYR . 20.8 mt -76.96 -46.0 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.83 -49.86 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -19.57 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.387 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 21' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -109.01 -27.81 9.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.614 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.538 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -109.99 -33.0 6.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CZ3' ' CD1' ' A' ' 50' ' ' LEU . 63.4 t-105 -73.41 -43.11 61.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 108.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 tp -53.21 -25.31 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 47.4 t30 -73.9 -26.97 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.677 ' CE2' ' OH ' ' A' ' 65' ' ' TYR . 3.1 t80 -92.52 -38.22 12.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.72 -15.08 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.372 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -83.4 -56.83 3.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.5 -39.38 76.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.476 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -63.13 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -13.38 59.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -92.08 -12.83 31.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 14.4 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.528 0.204 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 2.5 pp0? -62.5 -49.93 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.62 -8.48 55.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -95.61 -39.17 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -25.43 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 72' ' ' ILE . 11.5 t80 -76.87 -30.76 56.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.544 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -71.6 -49.62 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -56.26 -27.45 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.6 tt -67.03 -54.04 25.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -57.95 -30.39 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.1 -13.42 26.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -73.23 -4.77 35.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.53 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.3 t -149.3 95.84 3.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.59 5.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.53 ' CG2' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -120.42 -22.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 15.2 p-90 -94.48 -21.6 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -51.13 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.644 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -47.56 -59.36 5.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.03 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 tp 35.1 88.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.73 112.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.677 ' OH ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 t80 -63.47 -10.69 18.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -59.15 -18.5 36.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -93.31 -18.68 22.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.631 ' CD1' ' CZ ' ' A' ' 65' ' ' TYR . 4.6 mt -68.2 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -22.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -73.51 -34.8 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.04 -51.73 66.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 49' ' ' PHE . 4.9 mt -39.55 99.62 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.94 85.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 77.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . . . -37.03 120.02 0.65 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.57 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -92.98 177.25 2.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.728 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.87 -175.44 2.34 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.52 -171.89 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -101.81 21.18 14.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.38 0.694 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -58.7 -43.89 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.422 ' HA ' HG13 ' A' ' 84' ' ' ILE . 12.2 t -70.09 -38.49 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.437 ' HA ' ' ND2' ' A' ' 85' ' ' ASN . 14.6 mm-40 -58.77 -25.01 62.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.498 ' CG1' ' CD1' ' A' ' 34' ' ' LEU . 5.8 mt -86.9 13.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 27' ' ' PHE . 1.2 mt -120.1 -48.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.521 ' C ' ' OD1' ' A' ' 85' ' ' ASN . 6.0 p30 -53.82 -20.57 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.471 HD12 ' CD2' ' A' ' 34' ' ' LEU . 84.6 mt -76.08 -34.02 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 18.9 mt -73.06 -43.64 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.7 t -62.86 -49.5 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -60.33 -15.39 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -62.98 -46.31 88.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' ' CD1' ' A' ' 50' ' ' LEU . 48.4 t-105 -69.58 -43.15 73.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.087 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tp -51.98 -33.73 39.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.416 ' O ' HD23 ' A' ' 87' ' ' LEU . 38.8 t30 -64.06 -26.37 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CZ ' HD13 ' A' ' 84' ' ' ILE . 0.5 OUTLIER -91.65 -32.94 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -78.45 -20.61 50.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -71.85 -59.15 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.35 -34.53 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -71.91 -16.56 62.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.84 -16.21 21.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -19.99 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HG ' ' CD1' ' A' ' 86' ' ' ILE . 23.9 mt . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.559 0.219 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.9 pt20 -80.22 -53.7 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 3.6 mm-40 -65.16 -10.67 33.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -89.28 -41.07 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -66.93 -26.48 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 110.298 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -44.78 83.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.352 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 34.3 t80 -59.39 -34.49 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.56 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 14.8 mt -72.04 -55.68 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -56.58 -27.45 57.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.4 tt -67.26 -55.08 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.594 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.27 -28.22 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.07 -12.32 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -2.39 28.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.508 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.2 t -151.44 96.61 3.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.448 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 68.16 5.74 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.535 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.24 -22.99 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 10.2 p-90 -95.2 -24.04 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -68.88 -54.36 16.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.651 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -45.49 -60.05 3.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.651 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.02 -10.71 21.29 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.394 1.733 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.43 ' O ' HG22 ' A' ' 63' ' ' ILE . 3.4 tp 38.24 90.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.5 114.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.87 -9.59 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -65.84 -23.02 66.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -89.13 -17.22 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.77 -61.49 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.3 -21.93 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -69.3 -40.3 77.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.92 -40.46 80.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.581 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 8.5 mt -51.73 116.02 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 47.47 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER 29.54 88.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 129.14 -1.24 6.17 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.571 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -36.37 153.58 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 -167.9 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.45 -172.88 0.19 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 20.48 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 1.2 t -60.05 -46.84 93.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 76' ' ' TYR . 4.2 t -67.91 -39.27 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -55.71 -26.43 45.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.452 ' CG1' HD13 ' A' ' 34' ' ' LEU . 4.5 mt -89.2 -51.75 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.447 HD13 ' CZ ' ' A' ' 27' ' ' PHE . 5.5 mt -62.03 -24.89 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -64.29 -33.37 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.498 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 6.6 mt -62.58 -35.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 HD11 ' CE2' ' A' ' 65' ' ' TYR . 44.1 mt -67.58 -42.79 81.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.44 -50.5 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -18.51 65.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.4 t30 . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.4 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.46 -65.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.469 ' CE1' HG13 ' A' ' 63' ' ' ILE . 64.9 m80 -82.77 -23.03 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 49.1 t-105 -71.74 -43.25 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 tp -52.12 -30.66 27.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.28 -25.6 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.667 ' CE2' ' CD2' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -91.55 -34.13 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 111.052 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD12 ' CZ ' ' A' ' 43' ' ' PHE . 17.0 tp -77.13 -14.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' TYR . 2.5 mt-30 -80.83 -63.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.47 -27.67 17.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.417 ' N ' HG22 ' A' ' 83' ' ' ILE . . . -77.7 -26.64 50.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -85.39 -6.95 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -99.67 -10.38 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 87.6 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CZ ' HD12 ' A' ' 28' ' ' LEU . 9.6 m-30 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.501 0.191 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -56.59 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -58.44 -17.97 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.667 ' CD2' ' CE2' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -85.93 -58.34 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -53.01 -20.16 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -31.37 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.63 ' CE1' ' CG1' ' A' ' 72' ' ' ILE . 18.3 t80 -80.8 -33.91 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.562 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 6.6 mt -70.36 -49.49 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.08 36.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 5.1 tt -71.58 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.78 -28.91 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -12.8 37.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -73.45 -4.06 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.538 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.8 t -150.9 95.12 3.46 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 67.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.547 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.86 -21.64 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 109.221 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 15.8 p-90 -94.91 -23.08 17.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -55.87 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.668 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -45.17 -60.42 3.23 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.668 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.05 -11.3 21.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 ' CE1' ' A' ' 23' ' ' HIS . 1.5 tp 37.95 87.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.96 121.73 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.658 ' CE2' ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -69.87 -2.22 11.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 111.019 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -76.19 -40.12 53.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 59' ' ' TRP . 6.0 tt -74.39 -21.87 59.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.99 -62.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -20.79 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.1 t -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.25 -55.33 22.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.63 ' CG1' ' CE1' ' A' ' 49' ' ' PHE . 80.7 mt -41.52 100.74 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -75.06 50.7 2.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' PRO . 9.7 ttpt 34.82 44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.35 3.23 5.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -100.22 122.95 48.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' GLY . 18.3 Cg_endo -75.1 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.31 173.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 7.2 mmp_? 81.57 -7.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.264 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.3 t -135.03 -80.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 t -61.19 -38.23 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 3.6 mm-40 -57.71 -15.48 8.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.516 ' CG1' ' CD1' ' A' ' 34' ' ' LEU . 5.7 mt -100.05 -37.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.479 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 54.2 mt -75.48 -40.32 41.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 27.4 p-10 -52.72 -26.22 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 34' ' ' LEU . 19.0 mt -70.9 -35.39 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.658 ' CD1' ' CE2' ' A' ' 65' ' ' TYR . 19.7 mt -70.99 -42.96 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.44 -50.53 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -65.38 -16.79 63.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 7.3 t30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -41.47 94.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' A' ' 63' ' ' ILE . 15.0 m170 -60.83 -44.76 96.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ3' ' CD1' ' A' ' 50' ' ' LEU . 43.9 t-105 -71.55 -42.78 67.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 7.5 tp -53.86 -31.08 48.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 10.0 t-20 -67.58 -13.78 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.633 ' CD2' ' OH ' ' A' ' 65' ' ' TYR . 1.3 t80 -108.84 -34.3 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.08 -23.08 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.21 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 2.0 mt-30 -70.69 -59.06 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.381 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -54.84 -35.24 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.458 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.69 -17.11 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -91.09 -11.91 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' A' ' 83' ' ' ILE . 30.9 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.553 0.216 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -53.34 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.43 ' O ' ' NE ' ' A' ' 48' ' ' ARG . 10.0 pt20 -68.5 -6.99 28.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.566 HD12 ' CD1' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -94.7 -40.21 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.239 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -20.59 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 45' ' ' GLN . 24.3 ptt180 -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 40.4 t80 -67.6 -34.91 77.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.587 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 7.6 mt -71.11 -51.69 23.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -54.3 -26.02 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.582 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.7 tt -69.41 -56.45 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -58.05 -32.79 68.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.59 -13.51 32.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -73.03 -4.41 32.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.512 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 12.3 t -151.46 96.5 3.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 68.93 5.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.547 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -120.26 -21.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 10.8 p-90 -94.72 -23.7 17.45 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.59 1.181 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -67.52 -55.37 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.675 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -45.62 -60.65 3.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -75.0 -10.97 21.45 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.55 1.816 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 23' ' ' HIS . 2.6 tp 37.78 88.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -157.44 118.06 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.633 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.6 t80 -65.12 -8.99 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.2 p -66.76 -34.19 77.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -78.99 -18.41 53.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.14 -61.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.01 -20.71 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -74.01 -40.7 62.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.582 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.32 -42.48 86.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.382 1.051 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.578 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 17.3 mt -42.67 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -75.03 114.27 3.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.2 tttt 37.21 50.34 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 59.31 123.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.546 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -84.11 173.16 7.7 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 0.739 . . . . 0.0 110.972 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.546 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 -169.18 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.413 ' HA3' ' NE2' ' A' ' 45' ' ' GLN . . . 48.07 -171.58 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -93.09 19.6 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -56.67 -41.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.08 -39.94 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -27.72 60.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.514 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 7.5 mt -83.55 -12.03 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 72' ' ' ILE . 70.1 mt -102.82 -35.85 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.33 -25.02 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 34' ' ' LEU . 15.9 mt -72.57 -35.74 51.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.523 HD11 ' CE1' ' A' ' 65' ' ' TYR . 27.6 mt -65.09 -42.7 93.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -69.14 -49.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -2.22 32.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.196 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' ILE . 5.6 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 21' ' ' THR . 3.2 m . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.561 0.219 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.503 ' NE2' ' ND1' ' A' ' 23' ' ' HIS . 12.0 p-80 -123.11 -44.43 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.624 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.512 ' CG ' HD12 ' A' ' 63' ' ' ILE . 1.9 p-80 -84.58 -30.17 25.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CH2' HD13 ' A' ' 50' ' ' LEU . 25.4 t-105 -75.17 -43.97 49.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 108.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 tp -52.08 -28.04 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 27.3 t30 -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.534 ' CE1' HD12 ' A' ' 46' ' ' LEU . 1.9 t80 -86.22 -40.05 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 43' ' ' PHE . 9.6 tp -65.74 -11.97 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -84.98 -57.12 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.38 87.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.82 -37.29 71.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -72.9 -17.93 61.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.175 . . . . 0.0 111.046 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -9.39 56.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 86' ' ' ILE . 15.8 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.484 ' CZ ' HD12 ' A' ' 28' ' ' LEU . 13.0 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.502 0.191 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.7 pt20 -67.08 -53.2 33.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 10.1 mt-30 -70.48 -7.94 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.534 HD12 ' CE1' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -93.75 -40.52 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.36 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -59.17 -25.37 63.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -41.05 95.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CZ ' HD13 ' A' ' 84' ' ' ILE . 6.8 t80 -68.47 -51.81 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.558 HD13 ' CH2' ' A' ' 24' ' ' TRP . 9.8 mt -61.46 -39.6 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -67.38 -28.03 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.7 tt -70.38 -57.35 4.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.56 -30.23 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.53 -12.48 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -76.18 -1.08 24.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.516 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.2 t -153.61 96.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 68.29 5.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.552 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.32 -21.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.587 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 11.2 p-90 -95.76 -22.54 17.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 107.931 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -55.47 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.668 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -46.44 -60.25 3.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.668 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.96 -11.32 21.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.512 HD12 ' CG ' ' A' ' 23' ' ' HIS . 2.2 tp 36.89 88.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -158.08 117.58 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.691 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -64.66 -8.89 16.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -67.54 -22.79 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.04 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.4 tt -91.54 -15.97 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD21 ' CZ ' ' A' ' 49' ' ' PHE . 5.5 mt -65.16 -61.68 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.77 -27.46 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -36.3 83.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -71.95 -3.57 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.535 ' CG2' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -129.1 64.48 71.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.47 ' HD3' ' C ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.02 58.31 4.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt 75.48 48.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . -115.03 -109.75 2.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.486 ' C ' ' O ' ' A' ' 75' ' ' GLY . 2.9 m-85 -30.48 143.68 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 78' ' ' GLY . 18.0 Cg_endo -75.07 -178.76 4.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.99 175.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.58 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.8 ttm-85 90.11 -9.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 81' ' ' VAL . 23.0 t -132.42 -82.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.535 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 6.6 t -56.22 -40.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 1.8 pt-20 -54.5 -20.92 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 5.3 mt -98.54 -25.81 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.651 ' CG2' ' CE2' ' A' ' 65' ' ' TYR . 1.4 mt -78.16 -50.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.06 -20.37 6.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.476 ' CD1' HD23 ' A' ' 34' ' ' LEU . 59.0 mt -79.75 -34.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD11 ' CE2' ' A' ' 65' ' ' TYR . 81.7 mt -59.27 -42.56 91.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.5 -53.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -20.49 18.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.071 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 59.6 t30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.437 -0.208 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -132.37 -45.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.539 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -100.89 -36.33 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.646 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CZ3' ' CD1' ' A' ' 50' ' ' LEU . 57.0 t-105 -75.77 -46.21 32.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tp -53.01 -19.48 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -76.73 -30.68 56.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.62 ' CD1' ' OH ' ' A' ' 65' ' ' TYR . 12.2 t80 -85.66 -45.0 12.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 6.4 tp -53.91 -18.2 3.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.49 -59.85 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.79 85.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.48 -20.75 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -88.64 -28.82 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -23.14 61.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 83' ' ' ILE . 38.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.504 0.192 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -67.38 -56.78 8.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.17 -11.41 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' A' ' 50' ' ' LEU . 1.1 tt -88.8 -41.13 12.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -65.21 -38.91 91.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 49' ' ' PHE . 35.9 ptt180 -64.9 -35.17 80.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 80' ' ' VAL . 15.1 t80 -63.1 -44.11 96.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.686 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 10.8 mt -68.64 -49.51 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -58.24 -27.48 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.405 1.066 . . . . 0.0 109.366 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.2 tt -66.31 -52.86 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -59.99 -31.48 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.02 -29.52 29.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -10.14 47.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.58 ' CG2' ' CG2' ' A' ' 58' ' ' ILE . 2.8 m -125.58 85.75 58.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 53.82 3.46 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.527 1.804 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 56' ' ' THR . 0.1 OUTLIER -115.86 -20.78 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 23.2 p-90 -96.97 -20.64 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.3 -51.45 20.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.368 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -49.08 -59.47 6.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.01 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.446 HG21 ' C ' ' A' ' 62' ' ' PRO . 2.6 tp 37.48 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -163.0 114.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CE1' ' CD1' ' A' ' 68' ' ' LEU . 13.2 t80 -69.18 -4.57 18.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.522 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -91.89 -17.65 24.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.626 ' CD1' ' CE1' ' A' ' 65' ' ' TYR . 4.6 mt -62.32 -59.94 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -22.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 t -73.77 -46.11 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.04 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -55.34 -41.86 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.503 HG12 ' CE2' ' A' ' 49' ' ' PHE . 5.1 mt -38.82 99.24 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.01 91.92 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER 67.74 149.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.363 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.67 117.56 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.41 160.54 31.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.29 -175.25 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.65 19.52 20.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 0.74 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -60.7 -47.3 93.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.5 t -65.49 -38.28 82.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.632 1.208 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -57.63 -16.41 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.61 ' HB ' ' CE1' ' A' ' 27' ' ' PHE . 7.1 mt -91.94 -18.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 72' ' ' ILE . 10.9 mt -94.9 -49.44 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 20.2 p-10 -48.83 -24.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.467 ' N ' ' OD1' ' A' ' 85' ' ' ASN . 25.6 mt -75.3 -40.65 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.507 HD13 ' CE2' ' A' ' 65' ' ' TYR . 24.6 mt -63.41 -40.83 98.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.8 t -68.71 -48.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -3.02 37.09 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' ILE . 4.6 p-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' HIS . 4.9 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 68.92 -67.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 73.0 m-70 -77.29 -43.65 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.605 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.466 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 52.1 t-105 -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 107.965 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 tp -53.52 -26.64 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 58.1 t30 -73.01 -23.54 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.632 ' CE2' ' OH ' ' A' ' 65' ' ' TYR . 2.6 t80 -95.29 -40.27 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.065 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.62 -30.33 71.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -71.45 -51.77 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' CB ' HD22 ' A' ' 87' ' ' LEU . . . -59.31 -44.74 92.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.07 -24.95 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -23.91 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -11.89 60.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 83' ' ' ILE . 16.7 mt . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.552 0.215 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -65.75 -54.38 27.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.53 -20.38 55.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.487 ' CD2' ' CE1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -82.58 -56.25 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -20.7 18.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 4.91 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.701 ' CZ ' ' CD1' ' A' ' 72' ' ' ILE . 15.1 t80 -117.36 -38.48 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 HD13 ' CZ3' ' A' ' 24' ' ' TRP . 7.3 mt -68.83 -54.53 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -27.63 49.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.5 tt -65.98 -51.98 53.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -57.86 -29.74 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.43 -12.43 43.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -75.7 -2.8 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.521 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.7 t -150.04 95.8 3.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.519 1.799 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.521 ' CG2' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -119.87 -22.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 15.8 p-90 -95.81 -21.96 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -51.39 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.645 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.85 -59.42 5.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -74.97 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.3 tp 35.79 89.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -169.6 112.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.632 ' OH ' ' CE2' ' A' ' 27' ' ' PHE . 1.3 t80 -64.23 -9.89 20.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -60.13 -18.91 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -92.56 -17.89 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.57 ' CD1' ' CZ ' ' A' ' 65' ' ' TYR . 4.9 mt -69.67 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.14 -22.03 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -74.89 -36.17 62.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.071 . . . . 0.0 109.951 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.55 -41.98 77.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.701 ' CD1' ' CZ ' ' A' ' 49' ' ' PHE . 36.1 mt -65.67 126.11 91.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.97 47.75 1.82 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.429 1.752 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 22.92 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.72 -7.52 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.487 1.117 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -44.01 166.1 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.369 0.688 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 -172.23 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.93 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 23.78 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -57.86 -44.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.2 t -63.83 -39.39 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -27.09 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 34' ' ' LEU . 11.5 mt -77.62 -28.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.609 HG12 ' CE2' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.9 -38.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -52.81 -26.6 14.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.447 HD13 ' CD2' ' A' ' 34' ' ' LEU . 18.9 mt -75.79 -36.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 10.4 mt -76.18 -42.9 44.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -59.79 -47.13 92.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -16.61 32.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -54.06 -17.62 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.614 1.196 . . . . 0.0 109.591 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.608 ' NE2' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -114.64 -41.83 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.549 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -64.23 -43.14 95.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 21' ' ' THR . 10.9 tp -52.56 -34.46 50.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.485 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 52.0 t30 -64.83 -19.47 65.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.695 ' CE2' ' CD2' ' A' ' 46' ' ' LEU . 2.6 t80 -103.4 -40.17 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 15.9 tp -61.86 -26.7 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.06 -55.7 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.1 72.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -35.57 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -75.96 -19.37 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -5.68 59.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.539 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 26.8 mt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.44 0.162 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.89 -53.25 22.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -10.63 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.695 ' CD2' ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -94.75 -56.07 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -20.87 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -87.45 -15.72 36.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 72' ' ' ILE . 6.7 t80 -98.87 -34.37 10.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 mt -69.52 -53.28 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -55.35 -27.11 45.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -66.69 -51.94 50.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -61.39 -32.51 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.94 -11.94 32.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 ptpt -77.47 -3.47 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.545 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.9 t -147.95 94.98 4.24 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 66.69 6.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.545 ' CG2' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -120.39 -22.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 17.9 p-90 -95.59 -20.63 18.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.43 -49.93 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -48.76 -58.96 7.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.07 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 tp 35.45 89.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.77 111.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.635 ' OH ' ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -63.11 -10.59 15.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.7 p -58.44 -20.65 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -93.63 -18.03 22.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 65' ' ' TYR . 4.9 mt -67.58 -61.36 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -78.54 -39.62 37.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -55.91 -43.79 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 49' ' ' PHE . 4.5 mt -37.42 97.95 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.1 Cg_endo -75.04 109.69 2.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.373 1.723 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLY . 4.7 mmmm 68.76 119.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -33.58 117.91 0.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.4 ' CD2' HG22 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -90.33 170.32 10.43 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 0.768 . . . . 0.0 110.994 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -55.59 172.41 1.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 9.9 mtt85 80.86 1.22 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.438 0.728 . . . . 0.0 110.228 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 84' ' ' ILE . 26.6 t -136.55 -83.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 t -57.71 -39.19 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.43 -21.74 27.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.539 ' CG1' ' CD1' ' A' ' 34' ' ' LEU . 9.0 mt -89.24 -37.12 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.599 HG12 ' CE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -75.61 -33.84 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -54.87 -36.91 65.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.7 mt -64.06 -46.34 94.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 26.4 mt -62.88 -42.61 99.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.6 t -65.15 -52.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -68.12 -9.19 44.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 10.3 t-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 23.0 m170 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tmm? 57.27 73.59 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.81 -97.97 0.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.568 1.168 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.32 71.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.8 mm 62.62 132.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 t60 77.88 -56.28 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.163 . . . . 0.0 109.578 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.86 57.39 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt 40.72 47.68 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 0.795 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.458 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -77.93 -54.08 1.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.94 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.2 Cg_endo -75.01 -11.45 21.46 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 1.8 t 43.82 68.51 2.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.63 0.85 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.458 1.767 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 63.5 mt -84.43 142.25 40.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.472 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -74.93 56.2 4.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 46.83 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . . . -77.95 -55.48 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.486 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 92.31 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.444 1.76 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.22 94.54 8.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.29 84.61 0.15 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' SER . 0.4 OUTLIER 41.23 47.36 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.602 ' CB ' ' CD2' ' A' ' 23' ' ' HIS . 0.6 OUTLIER 52.95 171.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' HIS . 1.9 m -81.07 -91.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -43.12 -27.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.563 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.602 ' CD2' ' CB ' ' A' ' 20' ' ' SER . 2.6 m-70 -69.13 -57.12 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 35.7 t-105 -67.49 -43.6 80.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.992 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tp -52.13 -36.1 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 12.0 t-20 -60.98 -23.49 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CD2' ' OH ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -97.18 -32.53 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 7.4 tp -76.54 -33.69 58.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.25 -50.9 71.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.01 99.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' N ' HG22 ' A' ' 83' ' ' ILE . . . -59.68 -38.84 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -75.86 -19.6 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -78.49 -29.54 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' CD2' HD12 ' A' ' 86' ' ' ILE . 60.2 mt -80.26 -135.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -52.22 140.79 32.74 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.427 1.08 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 79.69 2.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.41 88.78 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 107.52 2.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.37 1.721 . . . . 0.0 110.975 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER 67.17 -80.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' SER . 3.7 t0 40.28 -154.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -126.48 33.06 5.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.22 -17.81 38.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.403 ' CZ ' HD12 ' A' ' 28' ' ' LEU . 34.6 m-85 -63.49 -11.18 21.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 17.5 pt20 -64.22 -52.19 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -62.11 -17.0 56.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD22 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -85.3 -56.01 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.99 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -35.38 75.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CE1' HG12 ' A' ' 72' ' ' ILE . 24.5 t80 -84.46 -37.97 20.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.56 HD13 ' CZ3' ' A' ' 24' ' ' TRP . 9.8 mt -65.76 -49.5 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.29 -30.17 68.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.504 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.4 tt -64.48 -51.26 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -62.1 -30.66 71.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.52 -29.01 34.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -10.45 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.59 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 3.7 m -121.61 83.7 41.98 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.41 1.069 . . . . 0.0 110.4 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.82 3.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.566 ' CG2' ' CG2' ' A' ' 56' ' ' THR . 0.1 OUTLIER -118.4 -21.12 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 56' ' ' THR . 28.2 p-90 -96.09 -22.41 17.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.454 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -68.69 -53.96 19.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.646 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.45 -59.59 5.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.646 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.0 -10.19 21.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.4 tp 36.91 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.91 115.26 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.605 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 3.5 t80 -61.25 -12.6 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.5 p -60.34 -24.75 65.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -92.24 -18.41 23.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.1 -61.07 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.94 -20.92 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -45.41 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.504 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.19 -31.24 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.561 HG12 ' CE1' ' A' ' 49' ' ' PHE . 12.0 mt -58.54 119.74 38.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.6 Cg_endo -74.93 48.53 2.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.779 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 24.69 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.368 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.72 -3.97 5.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.554 1.158 . . . . 0.0 111.027 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.551 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 33.1 t80 -37.2 148.53 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.94 -168.56 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . . . 54.18 176.56 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -99.13 17.94 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.311 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -59.55 -46.56 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 76' ' ' TYR . 34.0 t -63.49 -39.64 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -55.4 -27.09 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.242 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 34' ' ' LEU . 6.6 mt -85.93 -39.37 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.228 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.412 ' CG1' ' CE1' ' A' ' 27' ' ' PHE . 60.5 mt -70.0 -37.51 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -53.29 -29.39 33.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.481 HD12 ' CD2' ' A' ' 34' ' ' LEU . 13.5 mt -70.75 -22.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -86.75 -43.31 12.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 91' ' ' GLN . 4.9 t -63.46 -48.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -22.14 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -91.19 18.96 6.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.517 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 9.9 tt0 -90.3 -62.92 1.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 91' ' ' GLN . 7.3 m 50.27 24.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 t -116.17 93.03 37.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.31 5.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ALA . 79.6 p -90.21 165.26 14.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.066 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' SER . . . -39.52 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 95' ' ' SER . 18.2 Cg_endo -75.0 56.69 4.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -177.04 111.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.465 ' N ' ' CD ' ' A' ' 100' ' ' PRO . . . 168.2 -54.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.174 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 99' ' ' ALA . 18.5 Cg_endo -74.86 55.76 3.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.42 154.73 73.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.213 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 103' ' ' THR . 18.3 Cg_endo -75.01 -28.25 9.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.563 1.822 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.31 -53.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 110.428 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.3 Cg_endo -75.03 141.05 26.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 tp -165.56 -44.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.8 p -172.93 155.26 2.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 108.303 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.14 19.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.0 t -92.91 64.96 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.8 p -107.12 63.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.506 ' N ' ' CD ' ' A' ' 111' ' ' PRO . 0.8 OUTLIER -74.66 -51.4 4.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -74.97 159.34 41.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.405 1.739 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.24 33.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 155.03 43.0 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.3 41.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.558 1.82 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.39 18.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 169.99 21.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 56.53 4.32 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.769 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.05 150.7 4.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.41 ' CG ' ' HG3' ' A' ' 124' ' ' PRO . 26.1 tt0 -79.72 132.53 36.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.16 -57.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 123' ' ' VAL . 2.5 p-80 -69.3 131.71 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.566 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 122' ' ' HIS . 7.8 p -39.47 99.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.41 ' HG3' ' CG ' ' A' ' 120' ' ' GLU . 18.5 Cg_endo -74.91 155.28 43.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' O ' ' CE2' ' A' ' 127' ' ' TYR . 18.6 Cg_endo -74.94 155.23 43.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 0.0 111.073 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 18.4 Cg_endo -75.02 -68.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 126' ' ' PRO . 44.3 p90 41.48 -166.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 55.9 t -136.0 -63.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 69.1 160.72 0.15 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.0 10.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.6 m -78.23 -60.05 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.3 m -73.88 130.76 40.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 135' ' ' CYS . 61.2 p -127.52 -44.18 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.456 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 136' ' ' PHE . 3.5 mt-30 67.89 -69.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 133' ' ' THR . 35.3 t 71.3 -64.69 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 108.348 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 134' ' ' GLN . 7.8 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.36 109.85 20.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.39 -86.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 64.68 171.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 110.33 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 7' ' ' LEU . 5.3 tp -159.31 135.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -40.82 -60.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.99 96.56 1.99 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 4' ' ' ILE . 1.7 tt -161.26 147.82 14.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -179.06 78.51 0.21 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.07 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER 167.36 -53.74 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.495 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 18.2 Cg_endo -74.93 -165.04 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER 87.65 151.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.05 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.791 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 15' ' ' ALA . 6.0 ptmm? 47.66 -153.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 14' ' ' LYS . . . 70.55 154.55 0.15 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 55.76 4.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.425 1.75 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' CZ ' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER 175.45 127.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 20' ' ' SER . . . 167.26 76.94 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.27 61.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' GLY . 5.0 m 60.57 121.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -62.71 -65.58 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.363 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -41.23 -40.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.607 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.449 ' CE1' ' H ' ' A' ' 65' ' ' TYR . 5.3 m-70 -62.54 -48.01 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CH2' HD13 ' A' ' 50' ' ' LEU . 27.7 t-105 -68.26 -43.0 78.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tp -52.76 -35.91 57.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 50.4 t30 -64.16 -18.46 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.487 ' CE1' HG12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -101.76 -34.52 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.77 -24.11 60.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.19 -59.56 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.51 63.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' N ' HG22 ' A' ' 83' ' ' ILE . . . -68.85 -40.72 79.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -10.01 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.3 -3.35 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 5.5 mt -122.36 -42.93 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.484 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -38.57 -52.68 3.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 35' ' ' GLN . 18.3 Cg_endo -75.03 96.21 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.24 -175.1 46.92 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.4 Cg_endo -75.02 60.44 5.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 3.8 p 164.9 78.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.066 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.475 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -76.36 -176.27 3.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' A' ' 40' ' ' ASP . 1.9 m-85 70.77 55.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.464 ' OD2' ' CD1' ' A' ' 83' ' ' ILE . 15.6 t70 -109.38 27.78 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.21 -32.45 5.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.66 -52.14 48.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -4.38 25.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -99.4 -39.28 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -67.49 -10.89 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 2.7 ptm85 -83.06 -41.76 18.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.684 ' CZ ' ' CD1' ' A' ' 72' ' ' ILE . 54.0 t80 -66.48 -34.77 78.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.546 HD13 ' CH2' ' A' ' 24' ' ' TRP . 21.4 mt -69.77 -56.35 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -26.56 35.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 71' ' ' LEU . 2.4 tt -67.34 -54.66 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.03 -30.58 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD22 ' CZ ' ' A' ' 17' ' ' ARG . 2.2 tp -62.38 -14.0 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -74.22 -3.72 31.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.528 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.0 t -149.87 95.59 3.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 67.2 6.02 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.447 1.761 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.529 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.3 -22.26 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 12.8 p-90 -94.62 -20.55 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -56.67 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.638 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -44.41 -59.36 3.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.638 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -74.95 -14.42 21.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 63' ' ' ILE . 2.8 tp 38.24 89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.486 ' HD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -165.03 115.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE2' HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -61.27 -11.85 11.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -17.95 63.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.525 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -93.86 -17.48 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mt -66.74 -61.74 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.73 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -66.02 -39.55 90.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.477 ' CD2' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.32 -15.29 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.684 ' CD1' ' CZ ' ' A' ' 49' ' ' PHE . 2.1 mt -117.29 80.24 12.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.31 3.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.22 40.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.97 1.49 5.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.533 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 6.7 t80 -152.34 70.18 7.5 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.447 0.734 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.3 18.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 159.86 -171.04 36.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.504 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -57.03 -31.84 65.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.544 0.791 . . . . 0.0 110.24 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.54 HG12 ' CG ' ' A' ' 49' ' ' PHE . 1.2 t -70.53 -58.22 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' ASN . 7.1 t -56.3 -39.25 59.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.01 -39.6 78.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 12.0 mt -70.66 -31.3 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.487 HG12 ' CE1' ' A' ' 27' ' ' PHE . 8.9 mt -80.99 -28.25 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.245 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' VAL . 1.1 m120 -63.02 -37.42 87.1 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 34' ' ' LEU . 13.6 mt -60.04 -37.21 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.572 HD11 ' CE2' ' A' ' 65' ' ' TYR . 29.1 mt -63.77 -43.9 95.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.69 -50.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -32.4 63.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -63.31 -17.3 62.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.96 -2.76 55.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.8 t 63.76 49.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.362 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.46 152.42 72.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ALA . 18.1 Cg_endo -75.05 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.4 m 65.93 -75.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 94' ' ' PRO . . . 56.63 88.16 0.13 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -176.88 3.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.438 1.757 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.14 139.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.18 70.98 0.45 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 160.67 39.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -72.87 -51.84 6.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 17.9 Cg_endo -75.09 91.66 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 p -116.22 86.39 17.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -173.85 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.9 mt 66.37 134.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.5 m 66.51 153.15 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -39.67 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.7 p 44.68 -168.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.6 m 58.28 64.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 p -85.48 160.47 53.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.49 3.8 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.427 1.751 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.53 3.81 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.47 16.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.98 23.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.69 39.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 -178.34 4.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -43.53 151.39 0.47 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 143.87 29.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.0 -51.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 122' ' ' HIS . . . -40.48 -70.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.578 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 63.1 m80 -161.21 -47.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.545 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.578 ' CG2' ' O ' ' A' ' 122' ' ' HIS . 3.0 m 55.74 159.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.49 3.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.548 ' CE2' ' HB ' ' A' ' 128' ' ' VAL . 24.2 t80 54.38 167.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.548 ' HB ' ' CE2' ' A' ' 127' ' ' TYR . 10.7 p 41.89 35.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 0.2 OUTLIER -52.19 -53.38 52.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.3 Cg_endo -74.97 -171.05 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.475 1.776 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.3 t -160.92 147.05 14.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.4 m -58.85 102.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.456 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.4 p -41.71 152.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -177.73 69.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.5 t -76.29 150.0 37.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.334 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 48.9 p90 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 111.014 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.7 161.51 37.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.83 61.79 5.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -176.68 158.32 1.68 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.43 0.724 . . . . 0.0 110.353 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.541 ' C ' ' CG ' ' A' ' 5' ' ' HIS . 24.7 mm 67.97 -70.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.541 ' CG ' ' C ' ' A' ' 4' ' ' ILE . 2.0 p-80 50.82 -100.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.94 -83.52 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 7' ' ' LEU . 4.4 mm? -66.09 -177.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 t 62.87 82.8 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 59.58 5.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.583 1.833 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.5 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -74.38 -51.25 4.48 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.1 Cg_endo -75.15 151.67 39.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.589 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -76.13 -47.32 3.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.6 Cg_endo -75.02 117.4 4.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 1.8 pttm -120.8 -171.2 2.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . -40.61 -53.18 5.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 15.2 mtm-85 67.99 74.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.353 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.51 142.44 5.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.07 50.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 0.818 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 23' ' ' HIS . 1.5 m 45.43 94.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.76 -45.25 29.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -60.76 -40.7 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.468 ' CE1' HD13 ' A' ' 68' ' ' LEU . 12.5 t-80 -61.16 -45.43 94.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 35.9 t-105 -70.82 -43.61 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.039 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -52.54 -31.08 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.471 ' OD1' ' CD2' ' A' ' 87' ' ' LEU . 39.7 t30 -68.1 -24.91 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.618 ' CZ ' ' CD2' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -94.03 -34.27 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.909 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 18.3 tp -75.13 -13.93 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' TYR . 23.7 mt-30 -82.76 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.39 -32.45 26.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.63 69.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.562 1.164 . . . . 0.0 109.367 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -80.99 -18.51 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -7.84 59.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 35' ' ' GLN . 72.2 mt -96.16 -45.94 6.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 88.2 151.63 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.51 38.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.78 -85.06 0.21 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -172.89 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.535 1.808 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -60.83 -34.55 74.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.2 140.34 7.45 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.4 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 2.5 m-85 -78.84 2.33 20.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 54.54 20.02 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -114.86 -13.84 11.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -55.36 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -18.28 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.618 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.33 -57.57 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.2 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -50.66 9.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.5 t80 -61.32 -38.72 87.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.56 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 12.1 mt -65.59 -53.19 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -26.52 62.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.493 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.0 tt -70.3 -54.51 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -60.99 -30.81 70.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.28 -30.41 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -8.29 45.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.591 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 3.5 m -123.87 83.56 54.81 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 53.58 3.39 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.564 1.823 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.567 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -117.6 -21.28 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 56' ' ' THR . 25.3 p-90 -96.28 -23.43 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -67.73 -54.53 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.663 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -47.23 -60.37 4.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -74.98 -10.25 21.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' TRP . 2.1 tp 36.98 88.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -157.1 117.68 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.507 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -64.51 -9.83 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -33.42 76.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.528 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -83.92 -17.59 40.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.468 HD13 ' CE1' ' A' ' 23' ' ' HIS . 5.6 mt -65.73 -61.44 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.83 -19.48 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -73.6 -45.46 52.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.5 -34.38 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 49' ' ' PHE . 18.7 mt -52.7 118.4 13.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -75.04 48.56 2.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 73' ' ' PRO . 7.0 tptp 27.3 89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.76 -2.02 5.6 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.543 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 44.1 t80 -35.93 148.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.596 0.821 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.9 -173.8 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 21.7 13.5 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' CB ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -58.6 -42.83 85.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 76' ' ' TYR . 16.7 t -69.41 -39.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -57.53 -30.23 65.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.463 HG12 ' CD1' ' A' ' 34' ' ' LEU . 6.8 mt -82.52 -52.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.425 HD13 ' CE2' ' A' ' 49' ' ' PHE . 62.3 mt -61.95 -28.91 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.525 HD22 ' NZ ' ' A' ' 89' ' ' LYS . 12.6 t30 -59.89 -33.97 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 34' ' ' LEU . 7.4 mt -63.96 -34.19 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' CD2' ' OD1' ' A' ' 26' ' ' ASN . 20.0 mt -72.4 -43.52 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.0 t -70.25 -49.32 55.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.525 ' NZ ' HD22 ' A' ' 85' ' ' ASN . 0.0 OUTLIER -54.26 -20.75 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 22.1 t-20 -80.22 -67.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.516 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 1.0 OUTLIER 160.65 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 91' ' ' GLN . 8.5 p 50.33 24.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' VAL . 8.6 p -39.22 149.17 0.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.398 1.061 . . . . 0.0 109.924 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.49 3.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.4 m -97.38 70.75 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -173.34 89.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.27 27.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.37 174.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 62.88 156.56 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.79 77.96 9.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 55.74 4.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.431 1.753 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.9 m -151.29 80.78 6.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 175.76 10.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.809 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.1 mm -135.71 135.96 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.2 p -102.79 151.23 38.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.254 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.8 m -162.12 -55.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.493 ' O ' ' C ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -40.05 -41.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 110' ' ' THR . 11.8 t 31.35 63.12 1.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.367 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 110' ' ' THR . 18.5 Cg_endo -74.91 154.99 43.36 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.01 113.59 3.83 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.526 1.803 . . . . 0.0 111.071 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 155.06 42.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 163.04 36.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.93 25.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.12 129.75 12.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -92.32 154.52 42.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.957 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -177.83 3.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -171.08 56.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 72.78 -60.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -114.99 113.28 23.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -127.62 145.89 56.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 123' ' ' VAL . 18.4 Cg_endo -74.95 113.48 3.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.415 1.744 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 163.09 36.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.21 30.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -145.54 77.03 1.5 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 129' ' ' GLU . 9.8 p -140.75 172.44 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.46 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 0.1 OUTLIER 166.45 -55.27 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.46 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.2 Cg_endo -75.0 165.68 30.8 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.546 1.814 . . . . 0.0 110.959 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.6 m 64.01 -76.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 130' ' ' PRO . 40.8 p -94.76 90.94 6.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 134' ' ' GLN . 81.5 p -78.34 166.59 22.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 133' ' ' THR . 9.7 pt20 47.22 -172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.89 165.51 10.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt -160.15 82.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.3 41.03 6.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.578 1.174 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.93 39.99 0.41 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.536 0.786 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 6' ' ' GLY . 12.8 tt -139.37 169.02 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 t60 67.81 -70.52 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.56 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' ILE . . . -80.62 63.93 4.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 111.021 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -86.13 -17.36 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' LEU . 64.0 p -38.73 99.28 0.19 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.5 19.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.511 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -57.05 -51.28 82.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 95.69 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 mm -148.49 136.53 11.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 171.86 17.45 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.573 1.828 . . . . 0.0 111.048 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -57.28 -64.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.92 91.98 48.8 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -170.02 143.0 2.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -155.68 23.41 0.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -80.94 76.54 7.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.48 121.48 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.937 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.5 -34.92 62.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -59.34 -49.33 78.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' C ' ' ND1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -59.85 -43.21 94.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.573 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 26.6 t-105 -67.18 -44.22 80.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.16 -34.86 46.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 63.4 t30 -64.99 -20.01 66.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.201 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.577 ' CD2' ' OH ' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -97.61 -34.88 10.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 14.0 tp -73.99 -26.58 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.58 -55.57 12.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -56.37 -42.37 77.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.435 ' N ' HG21 ' A' ' 83' ' ' ILE . . . -60.05 -36.5 77.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -76.37 -16.29 59.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -83.92 -17.61 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' CD2' HD12 ' A' ' 86' ' ' ILE . 27.0 mt -93.02 -158.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.6 pm0 -35.45 96.67 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' LEU . 18.2 Cg_endo -74.97 131.37 14.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.24 -172.02 32.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -39.3 -40.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 109.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 45.79 -163.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 109.28 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.19 45.79 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -92.67 8.63 38.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -93.61 -17.9 22.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.437 1.086 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.458 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 1.7 pp0? -62.92 -48.53 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.458 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 13.8 pm0 -67.43 -24.54 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.572 HD22 ' CZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -78.55 -54.9 5.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -52.67 -20.17 2.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -35.11 41.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.579 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.8 t80 -83.37 -33.63 25.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.582 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 6.9 mt -69.24 -51.84 33.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -26.85 46.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.506 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.6 tt -68.19 -53.2 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.566 ' CB ' ' CZ2' ' A' ' 59' ' ' TRP . . . -61.13 -31.71 71.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.07 -32.21 45.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -9.98 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.605 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 3.7 m -121.44 82.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.4 3.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.557 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -117.88 -21.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.605 ' CD1' ' O ' ' A' ' 56' ' ' THR . 25.7 p-90 -95.88 -23.25 16.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.582 1.176 . . . . 0.0 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.476 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -68.18 -54.3 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.15 -60.17 4.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.6 Cg_endo -74.94 -9.88 21.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.0 tp 36.62 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -160.47 115.62 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.577 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.7 t80 -62.28 -12.09 18.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 t -62.04 -24.42 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.521 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -91.93 -18.34 23.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD11 ' CD2' ' A' ' 65' ' ' TYR . 5.1 mt -64.8 -61.07 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.34 -20.2 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -74.35 -43.08 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.76 -40.87 69.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.579 HG12 ' CE1' ' A' ' 49' ' ' PHE . 14.1 mt -49.52 105.65 0.53 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.93 108.01 2.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.423 1.749 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.6 tttm 38.38 62.18 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.23 155.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.541 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -125.86 170.97 8.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.541 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.6 Cg_endo -74.92 -167.8 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.95 -169.91 0.11 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.28 17.86 21.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.236 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -61.52 -48.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.53 -38.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.9 -33.65 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 34' ' ' LEU . 7.1 mt -77.65 -19.13 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.452 HD11 ' CD1' ' A' ' 72' ' ' ILE . 71.1 mt -89.21 -37.2 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -54.01 -29.33 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.494 HD12 ' CD2' ' A' ' 34' ' ' LEU . 13.1 mt -68.96 -30.58 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 19.3 mt -74.95 -43.86 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -64.28 -50.55 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -55.21 -24.78 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -71.25 -31.15 67.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.518 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 1.9 mm-40 -73.24 -59.16 2.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 91' ' ' GLN . 8.3 p 50.47 24.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.82 150.29 14.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 139.02 23.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.391 1.732 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.9 m 62.75 174.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.85 92.06 47.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 106.2 2.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 68.38 176.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 67.75 91.92 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.03 167.91 25.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.493 ' C ' ' O ' ' A' ' 100' ' ' PRO . 19.6 m 32.31 87.27 0.11 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' THR . 18.2 Cg_endo -74.95 -62.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.36 -53.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.1 Cg_endo -75.05 140.37 25.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.1 mp -128.51 -62.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.467 ' CB ' ' HD3' ' A' ' 107' ' ' PRO . 0.1 OUTLIER 171.18 -56.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 106' ' ' CYS . 18.4 Cg_endo -74.95 121.67 6.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -149.56 148.57 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.7 t -161.78 143.31 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.5 m -160.89 80.3 2.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 157.67 42.32 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.05 39.46 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 160.52 40.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.55 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.554 1.818 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 178.67 6.96 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 p -41.22 157.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 61.24 5.66 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 122' ' ' HIS . 0.9 OUTLIER -108.56 168.68 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 69.88 -65.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER 69.1 -65.27 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 35.4 m -149.08 85.36 5.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.19 43.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 113.49 3.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.544 1.812 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 94.41 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.448 ' CD1' HG12 ' A' ' 128' ' ' VAL . 44.7 p90 -103.16 18.04 22.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 127' ' ' TYR . 34.6 m -132.74 129.9 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -149.72 135.68 10.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.87 2.82 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.3 p 38.71 85.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.4 m -149.46 -60.22 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 11.1 t -165.46 125.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.468 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -159.82 70.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.195 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.58 70.17 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.36 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.57 145.39 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.68 59.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -139.43 103.21 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.473 ' O ' ' CD2' ' A' ' 5' ' ' HIS . 1.0 OUTLIER -134.4 56.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 4' ' ' ILE . 16.7 m80 -145.94 146.73 31.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.497 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.2 -71.46 0.42 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.54 42.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.475 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -66.17 -53.39 32.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.019 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.1 Cg_endo -75.02 157.47 42.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.552 1.817 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.567 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -77.35 -47.46 2.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.1 Cg_endo -74.98 -85.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.564 1.823 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -167.37 147.35 4.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.4 Cg_endo -74.94 178.7 6.89 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.5 pttm 40.29 65.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.74 153.71 15.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -75.01 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER 83.49 113.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.07 -154.13 42.58 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 tt -147.42 59.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 0.72 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.0 p 53.11 85.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -38.33 82.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -60.76 -49.32 77.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -58.54 -41.38 85.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.558 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 32.7 t-105 -70.56 -43.94 68.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 tp -52.79 -29.59 28.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.47 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 50.2 t30 -67.73 -24.4 65.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.371 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 1.4 t80 -95.46 -36.88 11.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 12.0 tp -69.17 -25.53 64.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -69.62 -57.81 4.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' CB ' HG21 ' A' ' 83' ' ' ILE . . . -56.69 -36.88 70.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.51 84.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.171 . . . . 0.0 109.248 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -74.19 -16.25 60.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.943 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -10.99 51.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 25.0 mt -98.99 -79.15 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER 161.86 169.04 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' GLY . 18.2 Cg_endo -75.03 55.43 3.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . 37.46 -156.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 t -111.9 154.81 24.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.01 165.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.25 38.29 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -64.23 -14.21 54.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -73.31 -2.36 21.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.73 -56.72 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' HG3' ' NH1' ' A' ' 79' ' ' ARG . 1.6 mm-40 -59.47 -18.2 37.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.454 HD22 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.82 -56.47 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -53.73 -21.19 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -72.92 -36.71 67.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CZ ' HG13 ' A' ' 72' ' ' ILE . 27.9 t80 -83.84 -34.44 24.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.565 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 7.7 mt -69.87 -56.36 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -28.89 54.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.55 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.0 tt -65.28 -52.19 55.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -56.86 -32.34 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.38 -13.86 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -74.87 -3.22 30.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.51 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.6 t -151.15 96.36 3.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 67.73 5.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.758 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.539 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -118.62 -21.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 11.1 p-90 -96.23 -20.49 18.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -56.59 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -44.85 -59.18 4.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.04 -14.26 21.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.445 ' O ' HG22 ' A' ' 63' ' ' ILE . 4.2 tp 39.15 91.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' HD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -166.3 113.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.84 -14.03 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.5 p -59.57 -23.91 63.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.966 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -91.22 -17.86 25.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.11 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -20.96 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 t -76.01 -37.85 57.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.55 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.62 -42.01 78.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.559 HG13 ' CZ ' ' A' ' 49' ' ' PHE . 62.1 mt -51.28 123.74 21.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.494 1.787 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 20.38 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.228 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.04 -10.64 2.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.582 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -45.68 160.19 0.28 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 0.718 . . . . 0.0 111.029 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -61.74 177.35 5.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.503 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER 83.11 -5.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.1 t -131.46 -82.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 72' ' ' ILE . 5.8 t -57.19 -38.97 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.28 -17.66 8.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.515 ' CG1' ' CD1' ' A' ' 34' ' ' LEU . 5.2 mt -102.12 -37.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.9 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 44.4 p-10 -52.92 -23.63 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 34' ' ' LEU . 25.9 mt -77.84 -33.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 25.5 mt -69.26 -42.72 75.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.54 -50.08 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -55.39 -30.38 60.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.531 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 51.6 t-20 -68.47 -34.11 75.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.531 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 6.9 pt20 50.04 25.25 1.62 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.96 -25.13 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.74 156.64 0.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.47 22.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 m 70.43 -60.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 62.26 92.01 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.84 4.05 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.14 106.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.17 156.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 57.79 4.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.516 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -60.56 -51.67 78.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -74.97 142.54 28.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.503 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.8 OUTLIER -76.6 -51.27 2.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.4 Cg_endo -74.92 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.576 1.829 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.2 mt 70.47 -68.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.237 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 30.0 p -66.5 150.45 97.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -83.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.6 t -133.4 52.07 2.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 110' ' ' THR . 2.9 m 60.78 144.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 109' ' ' THR . 10.0 t 32.83 89.32 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.438 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 156.19 43.04 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 162.66 36.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.58 42.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.777 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.51 42.95 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.53 42.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.811 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 159.45 41.49 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.759 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.11 5.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.463 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.0 OUTLIER 168.41 -54.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.1 Cg_endo -75.15 55.92 4.17 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' CD ' ' C ' ' A' ' 119' ' ' PRO . 2.0 pm0 42.31 -164.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.501 ' O ' ' CD2' ' A' ' 122' ' ' HIS . . . -105.01 -50.34 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 121' ' ' ALA . 22.5 p80 47.31 59.19 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.617 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 124' ' ' PRO . 77.9 t -109.3 142.87 26.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 123' ' ' VAL . 18.3 Cg_endo -74.96 173.25 14.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.411 ' HG3' ' NE2' ' A' ' 134' ' ' GLN . 18.3 Cg_endo -75.03 157.51 42.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -42.31 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -127.6 -148.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 129' ' ' GLU . 73.9 t 64.25 -102.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.422 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 5.1 mm-40 -152.31 84.9 4.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -18.52 18.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.1 m -67.28 -91.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.347 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 15.0 t -69.18 174.98 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 135' ' ' CYS . 33.3 p 46.01 -171.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.411 ' NE2' ' HG3' ' A' ' 125' ' ' PRO . 0.0 OUTLIER 69.41 -60.6 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 133' ' ' THR . 0.1 OUTLIER -117.23 -62.74 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 108.327 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 44.0 p90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 48.2 m80 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm -179.62 -55.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.74 -87.76 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 57.72 95.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.2 mt -137.95 107.17 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -170.01 68.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.31 -66.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD21 ' N ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -41.67 157.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.406 ' N ' HD21 ' A' ' 7' ' ' LEU . 63.3 m 51.72 88.98 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.08 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -74.94 58.77 4.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 9' ' ' PRO . 91.7 m -36.82 97.73 0.14 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' ILE . 18.3 Cg_endo -75.01 -161.64 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.811 . . . . 0.0 110.991 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.488 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -38.99 -52.96 3.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.02 146.35 32.48 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.448 1.762 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -140.31 -47.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . 167.24 -54.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.625 1.203 . . . . 0.0 109.216 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.98 58.03 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.19 157.42 34.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.197 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.14 -105.06 0.26 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -122.16 60.39 0.99 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 0.801 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.454 ' OG ' ' CG ' ' A' ' 23' ' ' HIS . 53.1 p 59.2 115.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.157 . . . . 0.0 109.948 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -31.88 64.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 110.451 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -51.15 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.454 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 61.0 m170 -59.11 -41.81 89.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.498 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 45.0 t-105 -67.8 -43.68 79.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.96 -30.83 37.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.481 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 11.3 t-20 -67.93 -19.14 64.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -97.44 -33.44 11.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.6 tp -77.27 -26.9 52.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.49 -56.36 7.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' CB ' HD22 ' A' ' 87' ' ' LEU . . . -54.49 -36.79 64.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -70.34 -26.98 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.96 -17.77 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -25.32 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' CD2' HD13 ' A' ' 86' ' ' ILE . 26.9 mt -58.8 -48.74 80.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 80.42 99.18 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 18.3 Cg_endo -75.0 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.84 -86.2 0.66 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.406 1.066 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.07 17.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.21 179.48 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' H ' ' NH2' ' A' ' 79' ' ' ARG . 5.3 p-10 -115.85 -159.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 19.3 m-85 -121.35 -45.49 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 41' ' ' PHE . 4.0 t0 84.3 71.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -56.42 -18.09 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -52.66 56.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -61.69 -12.4 16.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.587 HD22 ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -90.89 -54.93 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -56.92 -24.87 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 8.2 ptm180 -84.49 -42.29 15.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 34.2 t80 -60.53 -39.01 86.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.498 HD13 ' CZ3' ' A' ' 24' ' ' TRP . 12.7 mt -70.15 -54.46 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.02 60.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.559 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 2.8 tt -67.12 -53.98 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.92 -31.77 63.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.54 -13.66 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.14 -4.51 33.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.502 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.5 t -150.2 96.45 3.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 67.99 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.427 1.751 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.535 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.41 -22.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 11.0 p-90 -94.7 -23.14 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.01 -55.28 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.649 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.92 -59.93 3.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.649 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.04 -11.02 21.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.7 tp 37.83 89.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.56 115.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CE2' HD11 ' A' ' 68' ' ' LEU . 9.6 t80 -61.74 -11.8 13.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -60.67 -22.56 64.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.518 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.4 tt -92.07 -17.19 25.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 65' ' ' TYR . 4.9 mt -69.94 -62.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.15 -21.48 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -71.08 -38.59 72.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.559 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.33 -41.82 85.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.581 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 6.4 mt -54.74 112.24 3.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.96 48.2 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.8 OUTLIER 29.43 89.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.197 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.46 -3.24 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.618 ' CE2' ' CD1' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -37.53 154.75 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.59 -172.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.61 ' NH2' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -100.64 20.0 15.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -57.01 -42.89 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.6 t -74.85 -38.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -58.55 -15.39 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 4.4 mt -101.73 -45.73 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.438 1.087 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.58 HG13 ' CE1' ' A' ' 27' ' ' PHE . 86.0 mt -67.27 -34.23 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 28.4 p-10 -55.85 -25.65 43.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.49 HD13 ' CD2' ' A' ' 34' ' ' LEU . 13.5 mt -73.47 -30.52 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 18.8 mt -74.12 -44.32 54.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.64 -49.87 80.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -14.83 62.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -63.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 177.89 56.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.2 t -144.79 50.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.388 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -120.74 78.1 29.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 57.72 4.7 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 56.7 p -165.09 141.22 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.48 156.25 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -164.78 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.19 -173.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 61.65 161.57 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.7 14.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.3 p -167.57 67.11 0.83 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 135.57 19.43 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 104' ' ' PRO . 1.7 m -80.81 147.0 61.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 103' ' ' THR . 18.4 Cg_endo -74.98 -37.84 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 mm -73.68 -62.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.6 t -71.52 118.49 66.77 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.281 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 m -150.51 -75.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.434 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 72.8 p 38.89 59.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.575 ' N ' ' CD ' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -65.22 -47.34 71.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.04 156.35 42.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.771 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.53 3.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 157.04 42.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 0.0 110.943 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 157.24 42.92 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.561 1.822 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.35 43.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -54.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.77 151.15 0.11 Allowed Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -58.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 39.23 62.09 1.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.43 178.03 7.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 9.7 m170 67.49 174.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.654 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.419 ' N ' ' HD3' ' A' ' 124' ' ' PRO . 18.8 m 40.51 64.48 4.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 123' ' ' VAL . 18.3 Cg_endo -75.0 159.31 41.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.52 3.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.56 19.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.587 1.835 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -167.29 167.53 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.555 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 66.6 t -129.23 79.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.555 ' CG ' ' O ' ' A' ' 128' ' ' VAL . 2.0 pt-20 54.63 158.98 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 58.72 4.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.55 1.816 . . . . 0.0 111.013 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.51 ' CG2' ' N ' ' A' ' 132' ' ' THR . 1.1 t 40.8 -161.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.51 ' N ' ' CG2' ' A' ' 131' ' ' THR . 14.7 t -55.69 127.79 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.2 t -66.17 151.17 47.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 67.22 130.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.8 m -79.32 66.56 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.285 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 2' ' ' GLY . 15.7 p-80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt 66.76 -68.76 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 0' ' ' HIS . . . 125.27 80.03 0.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -142.41 58.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 110.277 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.5 pt 44.73 -167.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -146.51 113.83 6.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.11 -131.07 3.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 tp 63.83 146.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.78 88.45 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 79.2 2.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 p -137.84 158.35 71.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.44 4.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.517 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 1.3 mp -73.98 -51.9 4.71 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.3 Cg_endo -75.01 58.64 4.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 4.4 ptpt -39.86 -47.11 2.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . . . 165.27 -55.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.78 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 54.66 74.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -68.04 -84.01 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.525 HD22 ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -52.94 91.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLY . 5.5 t -129.64 -81.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.987 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -170.15 -40.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.83 -13.26 31.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.523 ' CE1' ' CG1' ' A' ' 63' ' ' ILE . 49.3 m80 -102.68 -38.83 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 24.2 t-105 -72.79 -43.72 62.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.054 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.27 -29.24 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.558 ' OD1' ' CD1' ' A' ' 87' ' ' LEU . 18.3 t-20 -67.91 -20.98 65.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.63 ' CE1' ' CD2' ' A' ' 46' ' ' LEU . 1.5 t80 -100.77 -35.91 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 12.3 tp -69.26 -30.82 69.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.84 -48.64 79.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -63.31 -45.2 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -19.57 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -79.79 -22.37 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 35' ' ' GLN . 8.9 mt -83.75 -159.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER 161.2 -51.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.255 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -74.97 92.73 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.01 -158.9 14.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.3 Cg_endo -75.04 132.15 15.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER 159.36 -50.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 41' ' ' PHE . 6.5 t70 -101.29 141.45 34.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER 73.14 19.76 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -125.46 -84.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER 66.36 0.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 42' ' ' ASP . 11.7 tt0 -85.88 -59.11 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -16.94 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.63 ' CD2' ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -82.21 -54.7 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.11 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.224 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -69.9 -48.79 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CZ ' HD13 ' A' ' 72' ' ' ILE . 32.7 t80 -66.49 -36.74 83.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 16.6 mt -70.39 -58.81 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -26.09 38.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -69.45 -55.47 10.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -56.09 -31.3 63.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 tp -62.79 -13.94 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.39 -7.06 40.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.504 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 12.4 t -150.55 97.51 3.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 68.64 5.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.554 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -118.99 -21.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 10.1 p-90 -95.25 -22.23 17.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.24 -56.33 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.81 -59.92 3.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -74.94 -13.19 21.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.379 1.726 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.523 ' CG1' ' CE1' ' A' ' 23' ' ' HIS . 2.6 tp 38.24 88.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -160.01 116.89 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.614 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 7.1 t80 -62.38 -11.47 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -25.18 68.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.522 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -90.77 -18.65 24.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mt -67.67 -61.79 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.61 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -73.54 -25.72 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -74.18 -0.98 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.57 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 10.3 mt -117.21 79.3 11.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.443 ' HD2' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 99.35 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER 77.0 151.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.84 116.94 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -93.77 -178.27 0.81 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.98 179.73 5.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.829 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.36 -170.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.501 ' CZ ' ' O ' ' A' ' 36' ' ' PRO . 10.6 mtt180 -101.61 20.83 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -58.17 -44.89 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.478 HG23 ' CG2' ' A' ' 72' ' ' ILE . 54.9 t -66.94 -39.47 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 79' ' ' ARG . 1.4 mt-10 -54.95 -29.14 55.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 27' ' ' PHE . 9.7 mt -80.79 -17.96 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.479 ' CD1' HD13 ' A' ' 72' ' ' ILE . 28.3 mt -96.72 -37.75 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -55.35 -28.66 55.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.469 HD13 ' CD2' ' A' ' 34' ' ' LEU . 12.1 mt -67.55 -38.07 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.558 ' CD1' ' OD1' ' A' ' 26' ' ' ASN . 30.4 mt -66.39 -42.98 87.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 5.6 t -67.74 -48.64 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -3.11 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.49 ' ND2' ' NE2' ' A' ' 91' ' ' GLN . 48.2 t30 -57.47 -39.74 77.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.49 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 167.46 73.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 88' ' ' VAL . 30.3 m -120.79 -42.3 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.484 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -39.75 -52.84 4.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 93' ' ' SER . 18.2 Cg_endo -75.0 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.1 p -140.49 135.87 32.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.04 85.87 53.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -80.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -174.86 82.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.477 ' N ' ' CD ' ' A' ' 100' ' ' PRO . . . -44.3 -53.86 13.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.231 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 99' ' ' ALA . 18.4 Cg_endo -74.97 134.3 17.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.408 1.741 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.56 155.63 81.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.51 1.795 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -38.85 154.55 0.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 106' ' ' CYS . 18.3 Cg_endo -75.11 56.17 4.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.586 1.835 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.4 mm 67.38 -73.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' PRO . 17.8 m -124.11 160.6 51.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 178.3 7.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -156.77 -61.08 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.8 t -39.97 138.5 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.401 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 1.8 t 38.84 64.51 3.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.02 160.93 39.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 161.01 39.62 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 157.73 42.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.0 42.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 173.85 13.76 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.421 1.748 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 m -170.51 152.55 3.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -179.21 4.78 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.456 1.766 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 122' ' ' HIS . 2.9 mp0 -45.12 -59.29 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 69.74 -65.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.238 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 120' ' ' GLU . 8.2 t60 70.27 -61.38 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.521 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.6 p 40.9 74.5 0.72 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 111.051 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.72 30.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 83.08 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -150.05 -45.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.4 m -116.4 53.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -177.02 75.14 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 131' ' ' THR . 18.0 Cg_endo -75.03 55.92 4.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.555 ' OG1' ' N ' ' A' ' 132' ' ' THR . 0.0 OUTLIER 29.25 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.555 ' N ' ' OG1' ' A' ' 131' ' ' THR . 3.2 m -106.45 -65.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.2 t -137.88 145.27 41.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -175.32 -51.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.314 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 8.4 t 73.69 163.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.34 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.2 ttp -178.54 -56.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 37.85 74.72 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -63.52 89.65 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 40.48 -158.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -47.15 106.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.1 66.04 0.39 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.29 122.48 9.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 0.765 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.74 158.19 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 88.81 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.501 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -75.86 -51.29 2.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 110.429 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.0 106.3 2.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -75.02 -51.92 3.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.1 -57.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.422 1.748 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.49 -63.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.49 76.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.0 -41.12 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.76 90.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -106.75 57.27 0.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mt -152.88 92.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.187 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -136.44 -95.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.013 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.594 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 4.2 m -132.52 164.68 26.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.618 1.198 . . . . 0.0 110.443 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 88.11 -15.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.569 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -119.62 -51.8 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.596 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.579 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 30.4 t-105 -69.76 -43.2 72.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.179 . . . . 0.0 107.998 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLN . 8.4 tp -52.36 -35.41 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.478 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 18.4 t-20 -62.34 -25.81 68.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.612 ' CD2' ' OH ' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -94.79 -34.28 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 21.8 tp -78.25 -24.3 46.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' LEU . 28.6 mt-30 -70.62 -59.28 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' CB ' HD22 ' A' ' 87' ' ' LEU . . . -55.18 -44.4 75.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.06 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -83.67 -18.03 39.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.47 -18.85 28.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.521 ' N ' HD21 ' A' ' 34' ' ' LEU . 4.0 mt -70.62 -133.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.56 102.42 0.25 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 85.86 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.46 1.768 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.67 -166.62 39.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.96 86.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 41' ' ' PHE . 4.4 m-20 -77.79 -171.67 2.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 5.5 t80 71.05 53.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -139.94 15.3 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -114.18 -24.99 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -41.96 85.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.84 61.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.589 HD22 ' CE2' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -82.74 -56.16 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -52.99 -19.76 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -82.2 -37.05 26.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 32.0 t80 -72.92 -41.51 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.579 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 15.3 mt -68.28 -53.87 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -55.5 -24.75 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.4 tt -72.0 -59.31 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -53.73 -29.6 40.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.26 -11.75 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.85 -0.71 25.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.429 1.08 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.511 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.2 t -152.83 95.76 3.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 67.81 5.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.503 1.791 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.531 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.8 -22.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 12.4 p-90 -94.98 -21.71 18.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -70.54 -54.14 13.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.65 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -46.02 -59.49 4.71 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -10.67 21.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.7 tp 37.23 89.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.08 114.47 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.612 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -59.07 -15.16 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -23.78 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.509 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -93.36 -19.13 21.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.46 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 -20.52 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -39.69 72.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.02 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.469 ' CD2' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.71 -41.29 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.568 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 4.7 mt -55.03 116.21 10.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.95 47.0 1.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 29.02 89.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 131.94 -2.47 5.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.568 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -36.79 155.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 111.041 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.07 -168.95 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.762 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.74 -174.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.34 20.61 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.478 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -59.49 -45.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 76' ' ' TYR . 10.1 t -68.25 -39.49 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.89 -23.83 33.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 110.236 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.511 HG12 ' CD1' ' A' ' 34' ' ' LEU . 3.9 mt -92.08 -49.22 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.593 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 72.0 mt -59.85 -43.74 92.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -51.68 -36.85 48.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.208 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.501 HD12 ' CD2' ' A' ' 34' ' ' LEU . 11.8 mt -67.16 -24.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 34.8 mt -74.53 -45.56 44.9 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.416 1.072 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 7.6 t -63.72 -49.92 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -19.71 10.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.63 26.54 7.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -98.8 -28.83 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 110.286 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 78.5 t -70.79 -58.29 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.3 t 60.0 93.57 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 55.74 3.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p 60.9 145.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 58.38 160.05 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -25.32 11.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -122.66 146.89 47.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -171.56 71.99 0.49 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 102' ' ' PRO . 0.4 OUTLIER -172.95 145.9 1.35 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 101' ' ' VAL . 17.9 Cg_endo -75.0 125.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 48.2 m -118.72 79.94 16.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.359 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 115.14 4.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.13 173.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 34.8 m 62.24 150.53 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.28 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -33.72 4.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.6 t -174.57 77.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.2 m -152.55 106.32 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.2 m 59.84 86.12 0.16 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.377 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 155.67 42.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 155.16 43.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 113.47 3.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 120' ' ' GLU . 18.5 Cg_endo -74.97 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 121' ' ' ALA . 17.8 Cg_endo -75.09 -82.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.535 1.808 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.3 OUTLIER -50.25 -51.86 59.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.4 Cg_endo -75.08 139.57 24.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 120' ' ' GLU . 0.9 OUTLIER 32.95 40.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 117' ' ' PRO . . . -40.01 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 12.5 p80 -136.93 101.8 4.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.641 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' HIS . 11.3 m -39.43 99.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 122' ' ' HIS . 18.5 Cg_endo -74.98 155.53 43.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.31 31.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.432 1.754 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -175.06 166.96 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.8 p -40.56 113.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 0.1 OUTLIER -78.82 -54.67 1.06 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.212 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.3 Cg_endo -74.9 -172.01 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 111.057 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.517 ' CG2' ' N ' ' A' ' 132' ' ' THR . 1.1 t 40.73 -161.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.517 ' N ' ' CG2' ' A' ' 131' ' ' THR . 1.7 m 60.16 148.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 135' ' ' CYS . 1.4 t -58.37 -34.67 70.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 129' ' ' GLU . 14.7 mm100 65.87 -73.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 133' ' ' THR . 1.6 p -121.51 -55.43 1.93 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 108.312 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 1' ' ' MET . 8.0 p80 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.484 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 17.4 ptp 43.05 -166.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.56 -147.51 10.77 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.66 -46.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 0.799 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.0 mt -134.05 132.51 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.3 t60 68.44 161.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.62 61.01 1.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.435 1.084 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.4 -49.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.489 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -44.12 -52.76 15.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.977 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.515 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 18.3 Cg_endo -75.05 62.22 5.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.405 1.739 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.512 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -81.65 -51.81 0.82 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.5 Cg_endo -74.94 -41.96 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 111.072 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' HB ' ' HD3' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -36.3 -58.18 1.0 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.515 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 18.3 Cg_endo -74.95 60.11 5.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -163.05 124.04 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . -76.53 -53.78 1.94 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 -89.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 54.07 81.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 60' ' ' LEU . . . 144.18 -66.23 0.45 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.51 90.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.554 ' OG ' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -39.37 147.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -67.96 -66.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -41.22 -35.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.601 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.554 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 3.9 m-70 -64.17 -50.19 69.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.547 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 35.8 t-105 -70.16 -43.91 69.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.2 tp -53.6 -27.68 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.235 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.491 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 18.3 t-20 -71.01 -18.66 62.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.607 ' CZ ' ' CG1' ' A' ' 84' ' ' ILE . 0.6 OUTLIER -100.53 -34.19 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.12 -21.93 59.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.51 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.7 -35.76 63.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.3 -22.39 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -22.65 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -82.0 -8.06 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 83' ' ' ILE . 89.6 mt -95.83 -107.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.52 91.06 46.8 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.369 1.043 . . . . 0.0 110.319 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 140.12 25.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' HA2' ' HD3' ' A' ' 38' ' ' PRO . . . 140.12 139.55 3.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.3 Cg_endo -74.97 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.432 1.754 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 0.8 OUTLIER 85.1 -71.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -51.37 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER 163.0 48.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -73.37 -56.34 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -90.65 -9.96 44.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -79.01 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -12.52 24.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD23 ' CE2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.52 -40.77 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -63.12 -21.84 66.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -71.68 -34.02 69.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.588 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 31.1 t80 -73.58 -34.79 65.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.547 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 30.0 mt -70.82 -57.43 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.3 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.9 tt -69.0 -56.51 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -54.62 -30.37 54.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.59 -13.75 34.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -74.77 -3.12 29.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.53 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.5 t -150.62 95.41 3.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 67.81 5.92 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.539 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.62 -21.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 11.5 p-90 -94.91 -22.71 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -67.96 -55.71 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.658 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -45.64 -60.18 3.7 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.658 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.99 -12.04 21.53 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 110.925 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' TRP . 2.8 tp 38.03 89.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.6 117.29 3.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HD11 ' A' ' 68' ' ' LEU . 25.9 t80 -66.06 -7.7 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -70.65 -26.85 63.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.527 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -83.64 -17.91 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 65' ' ' TYR . 5.8 mt -69.46 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 -20.76 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 t -68.65 -38.51 80.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.516 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.41 -44.28 92.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.588 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 3.8 mt -50.31 112.73 2.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 47.87 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 30.11 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.38 -2.22 5.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.6 OUTLIER -37.21 153.98 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.589 0.817 . . . . 0.0 111.052 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.443 1.759 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.68 -172.95 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.408 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 53.8 mtp85 -98.5 20.02 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 0.73 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -43.93 92.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 10.6 t -72.01 -40.3 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -28.91 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.46 HG12 ' CD1' ' A' ' 34' ' ' LEU . 6.1 mt -87.25 -60.49 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.607 ' CG1' ' CZ ' ' A' ' 27' ' ' PHE . 56.1 mt -55.45 -23.79 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.632 1.207 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' VAL . 11.2 t-20 -66.34 -27.28 67.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.22 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.34 -22.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 22.8 mt -80.42 -47.78 13.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 92' ' ' VAL . 8.1 t -63.36 -49.52 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -18.25 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -75.59 -63.22 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.5 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 3.7 mp0 -131.12 -82.04 0.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 92' ' ' VAL . 0.4 OUTLIER 86.16 22.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.259 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.498 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.5 OUTLIER 164.57 -56.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.3 Cg_endo -75.02 2.83 6.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.452 ' HA ' ' CG ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -45.7 -56.74 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.997 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -175.39 91.77 0.29 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.27 37.91 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.787 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . 61.89 174.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.464 ' N ' ' CD ' ' A' ' 100' ' ' PRO . . . 167.66 -54.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -74.95 -54.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.784 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 m -54.09 157.39 4.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.43 11.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.447 1.762 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.12 155.51 33.55 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.532 ' O ' ' CG2' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -48.85 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.532 ' CG2' ' O ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER 53.14 171.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.43 ' N ' HD11 ' A' ' 105' ' ' ILE . 0.5 OUTLIER 56.07 167.31 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 108.347 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 139.17 23.89 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.4 p 38.73 -154.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.431 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 111' ' ' PRO . 17.7 m -152.15 148.63 27.85 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.511 1.132 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' THR . 19.6 m -36.72 97.71 0.14 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.06 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.78 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.74 24.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.566 1.824 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.5 3.81 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 159.87 40.88 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.422 1.748 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 159.86 41.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 165.68 30.66 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.5 p -102.44 152.32 38.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.945 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.84 88.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.89 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.526 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 17.0 t-160 -139.86 -70.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 122' ' ' HIS . 0.9 OUTLIER 162.88 -51.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 123' ' ' VAL . 18.4 Cg_endo -75.0 155.53 42.95 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.06 18.48 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 128' ' ' VAL . 0.1 OUTLIER 41.27 35.26 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.949 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 129' ' ' GLU . 0.4 OUTLIER 45.97 -170.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.516 ' N ' ' CG1' ' A' ' 128' ' ' VAL . 31.4 tt0 -163.53 89.31 1.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.09 27.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 m -61.57 116.68 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.2 p -139.92 -57.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 134' ' ' GLN . 1.1 t 40.88 -161.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.496 ' N ' ' CG2' ' A' ' 133' ' ' THR . 0.0 OUTLIER -171.38 -40.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 33.9 m -81.0 84.9 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 48.5 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.953 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.74 113.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -39.42 -50.33 3.0 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' HIS . 0.2 OUTLIER -65.62 162.66 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 5' ' ' HIS . 8.3 mm 65.91 -75.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 3' ' ' GLN . 10.8 m80 -160.64 92.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.57 54.79 4.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.544 1.153 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -175.51 -65.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 65.29 80.62 0.23 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' PRO . 18.1 Cg_endo -75.05 126.32 9.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' PRO . 68.0 p -36.88 97.69 0.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 12' ' ' ILE . 18.4 Cg_endo -74.98 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.515 ' C ' ' O ' ' A' ' 11' ' ' PRO . 0.9 OUTLIER 31.93 63.85 1.18 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.05 -37.83 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.543 1.812 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER 69.89 -63.28 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.49 99.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -74.97 55.81 4.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 63.23 107.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.38 -74.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' CD2' HD12 ' A' ' 60' ' ' LEU . 25.3 mt -138.66 49.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m 38.45 -150.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 109.94 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.413 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 93.0 m -143.08 173.6 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER 81.92 -52.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.598 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -64.3 -49.71 70.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.574 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 46.4 t-105 -68.89 -43.99 74.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tp -52.89 -29.09 26.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 60.2 t30 -69.52 -22.43 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 65' ' ' TYR . 7.0 t80 -91.93 -37.64 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.63 -30.55 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.96 -51.29 49.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.17 92.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.505 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -63.03 -14.18 44.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.0 -20.35 18.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 8.3 tpm_? -83.66 -28.03 28.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' CD1' HG12 ' A' ' 83' ' ' ILE . 36.4 mt -76.04 -159.74 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 139.04 91.54 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -168.04 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' N ' ' CZ ' ' A' ' 41' ' ' PHE . . . 178.04 171.12 41.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 t -38.8 -66.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.07 129.65 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CZ ' ' N ' ' A' ' 37' ' ' GLY . 2.5 m-85 -110.99 26.14 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.98 35.43 2.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 41' ' ' PHE . 24.3 m-85 -67.38 -7.68 26.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -55.68 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -18.71 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.225 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.622 ' CD2' ' CE1' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.36 -56.6 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.42 -23.9 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.0 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' HG12 ' A' ' 72' ' ' ILE . 9.6 t80 -79.07 -38.14 37.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD13 ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -67.07 -47.19 72.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.14 69.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -64.41 -51.29 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.571 ' CB ' ' CD2' ' A' ' 68' ' ' LEU . . . -61.3 -29.07 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 tp -54.23 -22.6 12.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -76.11 -5.3 45.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.586 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 2.8 m -128.29 86.39 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 53.28 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.579 ' CG2' ' CG2' ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.27 -21.9 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 56' ' ' THR . 26.9 p-90 -95.48 -21.65 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.29 -52.52 22.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.54 -59.6 5.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.04 -4.96 16.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.448 1.762 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 tp 36.36 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -166.93 114.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 27' ' ' PHE . 1.4 t80 -65.2 -8.47 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.448 ' OG ' ' NE2' ' A' ' 91' ' ' GLN . 16.2 m -62.56 -20.51 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.514 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -93.56 -17.29 23.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.571 ' CD2' ' CB ' ' A' ' 53' ' ' ALA . 4.7 mt -65.76 -60.51 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.85 -21.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 t -76.1 -43.65 42.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -55.22 -42.76 73.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.175 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.578 HG12 ' CE1' ' A' ' 49' ' ' PHE . 41.4 mt -37.27 97.59 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.592 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.09 99.64 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 69.07 134.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -36.01 121.4 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.592 ' CE2' ' HD2' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -87.46 168.16 18.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.76 -170.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -104.05 19.6 19.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.775 . . . . 0.0 110.253 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -58.39 -47.76 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 76' ' ' TYR . 40.9 t -61.5 -38.06 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.59 -35.05 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.505 HG22 ' CB ' ' A' ' 31' ' ' ALA . 8.4 mt -70.29 -13.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.613 HG12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -100.98 -42.2 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -53.8 -24.83 16.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 34' ' ' LEU . 16.9 mt -74.14 -37.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 13.3 mt -71.77 -42.59 66.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.0 t -61.97 -49.6 83.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -61.99 -14.42 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.87 35.53 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.448 ' NE2' ' OG ' ' A' ' 66' ' ' SER . 2.1 mm100 -78.4 -64.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 92' ' ' VAL . 0.5 OUTLIER 168.57 73.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.1 OUTLIER 163.55 -54.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.4 Cg_endo -74.96 -4.28 15.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -39.43 -43.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.037 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.466 ' N ' ' CD ' ' A' ' 97' ' ' PRO . . . 168.31 -54.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 96' ' ' ALA . 18.3 Cg_endo -74.95 93.4 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.68 -61.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.42 154.57 50.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.48 40.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -75.2 -51.88 3.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.05 -178.04 3.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.1 p -139.85 157.75 69.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.9 10.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.401 HG21 ' N ' ' A' ' 106' ' ' CYS . 0.1 OUTLIER -134.31 -47.03 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.401 ' N ' HG21 ' A' ' 105' ' ' ILE . 31.0 p -128.91 156.22 78.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 108.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.34 4.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.564 1.823 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 53.5 m -61.44 161.67 9.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.404 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.8 p 44.47 -168.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 m 39.81 68.76 2.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.1 43.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.421 1.748 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.55 3.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.55 20.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 155.12 42.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 118' ' ' SER . 18.4 Cg_endo -74.98 -176.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER 162.29 -52.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.0 Cg_endo -75.08 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 122' ' ' HIS . 12.2 pt-20 -53.54 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 68.17 -69.84 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.384 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 120' ' ' GLU . 8.7 t60 -76.04 -72.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.624 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 122' ' ' HIS . 79.5 t -39.48 99.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 122' ' ' HIS . 18.3 Cg_endo -75.01 171.72 17.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.42 1.747 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 158.59 42.12 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.625 ' C ' ' CD1' ' A' ' 127' ' ' TYR . 18.1 Cg_endo -75.02 89.72 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.689 ' CD1' ' N ' ' A' ' 127' ' ' TYR . 0.1 OUTLIER 35.97 -90.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 111.019 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.561 ' N ' ' O ' ' A' ' 126' ' ' PRO . 65.3 t 67.69 -64.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 2.9 mt-10 -38.68 -56.02 2.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 131' ' ' THR . 18.2 Cg_endo -74.96 98.36 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 130' ' ' PRO . 1.2 p -161.54 178.64 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.365 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 134' ' ' GLN . 11.5 p 38.74 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 135' ' ' CYS . 6.7 m 63.42 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.46 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' THR . 2.0 pt20 38.58 -97.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.232 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 133' ' ' THR . 31.9 p -70.14 133.41 47.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 14.8 t80 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 10.6 t60 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptp 178.89 -35.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.26 172.5 37.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' C ' ' CD1' ' A' ' 4' ' ' ILE . 11.8 pt20 -165.52 55.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.404 ' CD1' ' C ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 40.5 -158.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -68.45 127.12 31.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.608 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 37.82 -106.37 0.05 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -161.11 -72.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER 167.38 -54.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.4 Cg_endo -74.99 -169.27 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 10' ' ' THR . 15.2 t -165.88 67.39 1.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 97.62 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.513 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -67.36 -51.95 31.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.01 139.16 23.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm 52.81 87.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . -63.18 -54.55 44.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.1 56.92 4.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.25 161.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.88 -103.32 2.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.511 HD12 ' CE1' ' A' ' 23' ' ' HIS . 3.6 mm? -96.77 121.14 38.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 0.753 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -81.25 -160.43 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.97 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m -122.17 -44.56 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -14.03 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.511 ' CE1' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -108.9 -36.8 6.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 28.3 t-105 -70.14 -43.84 70.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.27 -28.72 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 55.4 t30 -70.23 -20.41 63.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -99.15 -33.64 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -75.19 -32.19 61.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.79 -48.33 81.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.75 -46.75 89.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' N ' HG21 ' A' ' 83' ' ' ILE . . . -57.35 -37.3 72.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -11.73 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -11.23 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 47.1 mt -89.77 -46.84 8.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 54.13 72.95 0.99 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 66.61 6.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.67 -148.91 21.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -73.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -174.93 140.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -150.88 -82.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.1 t80 178.6 65.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -80.55 -0.75 39.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -81.29 -14.03 57.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.02 -53.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.83 -25.04 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -80.06 -56.92 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -54.37 -20.04 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -79.62 -38.89 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.607 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 12.5 t80 -78.58 -33.45 47.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.565 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 7.1 mt -69.83 -52.94 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.53 -28.62 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.3 tt -65.18 -51.34 61.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -62.33 -31.43 72.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -53.21 -31.37 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -8.81 49.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.587 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 3.3 m -122.12 83.26 44.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.16 3.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.798 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.581 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -117.23 -21.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.587 ' CD1' ' O ' ' A' ' 56' ' ' THR . 24.1 p-90 -96.8 -23.65 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 HD11 ' CE3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -67.65 -54.47 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.67 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.43 -60.44 4.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.396 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.67 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.0 -8.77 20.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.609 1.847 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 62' ' ' PRO . 1.9 tp 36.68 87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -157.72 116.64 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.531 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 6.5 t80 -65.42 -15.99 63.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.475 ' CB ' ' OD1' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -61.48 -23.48 65.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 110.024 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.509 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.1 tt -90.88 -19.25 23.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 70' ' ' SER . 5.5 mt -66.34 -60.21 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -21.88 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 68' ' ' LEU . 3.8 t -74.75 -43.68 53.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.82 -39.73 71.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.607 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -38.18 102.87 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 121.96 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.758 . . . . 0.0 110.969 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 73' ' ' PRO . 29.9 mtmm 31.64 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.529 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 57.65 121.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -79.67 -176.86 0.78 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.601 0.824 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.574 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 170.43 20.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.01 169.12 3.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.522 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER 72.63 6.7 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 45' ' ' GLN . 24.6 t -132.7 -82.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.8 -39.87 73.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -54.34 -22.25 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 6.8 mt -92.16 -35.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.56 HD13 ' CE2' ' A' ' 49' ' ' PHE . 20.5 mt -74.33 -36.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -54.29 -31.2 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 13.8 mt -65.54 -34.89 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 21.1 mt -73.64 -42.94 60.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.6 t -64.75 -51.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -14.22 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -78.78 -65.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 165.48 61.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.415 ' CG1' ' O ' ' A' ' 92' ' ' VAL . 9.8 p -156.08 57.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.463 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.5 OUTLIER 168.85 -54.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.4 Cg_endo -75.0 79.55 2.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.5 p 56.1 165.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.404 ' N ' ' HD3' ' A' ' 97' ' ' PRO . . . 40.49 64.45 4.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 96' ' ' ALA . 18.3 Cg_endo -75.0 59.94 5.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -170.74 49.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 42.18 90.55 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.418 ' CD ' ' HB2' ' A' ' 91' ' ' GLN . 18.4 Cg_endo -74.98 -178.52 4.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.83 154.99 93.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.63 4.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.2 m 50.95 87.18 0.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 87.85 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.546 1.813 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 60.2 mt -61.63 147.34 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.1 m -174.2 95.17 0.31 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.99 12.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 109' ' ' THR . 15.7 m 60.88 145.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 108' ' ' THR . 2.4 p -159.22 -44.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.8 p 39.0 66.54 2.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.7 42.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.57 3.82 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.46 31.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.412 1.743 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 168.07 25.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.53 3.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.465 ' C ' ' HD2' ' A' ' 119' ' ' PRO . 18.6 Cg_endo -74.99 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.591 1.837 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.02 -41.56 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.76 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.56 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.0 OUTLIER -37.61 -58.97 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.063 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.56 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.02 -67.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 70.37 148.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 122' ' ' HIS . . . -178.02 126.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.567 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -39.75 -71.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 122' ' ' HIS . 0.9 OUTLIER 164.75 -52.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 123' ' ' VAL . 18.5 Cg_endo -74.95 155.52 43.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 155.34 42.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.563 ' O ' ' CG ' ' A' ' 127' ' ' TYR . 18.4 Cg_endo -75.01 64.31 6.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 126' ' ' PRO . 53.3 p90 40.37 -163.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 129' ' ' GLU . 1.4 p 175.34 -35.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 0.0 OUTLIER -38.84 -55.82 2.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.89 81.2 2.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.3 p -72.85 151.96 41.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.454 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.5 p -40.53 -41.93 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 68.0 p -51.31 170.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 66.71 98.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 m -148.17 -62.59 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 108.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 20.7 p90 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.2 m170 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.77 145.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.01 109.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -47.12 159.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -134.68 51.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.04 174.87 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.18 -83.95 0.1 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.75 -69.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 7.0 p -166.65 63.36 0.75 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 110.046 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 8' ' ' SER . 18.3 Cg_endo -74.98 64.54 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.634 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -168.87 -63.37 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.634 ' HD3' ' CB ' ' A' ' 10' ' ' THR . 18.2 Cg_endo -74.98 -38.76 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 tt -164.2 89.4 1.1 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 103.4 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt 67.3 175.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.33 162.65 38.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 81.71 2.14 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.567 1.825 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 158.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 63' ' ' ILE . . . -56.88 -61.15 7.83 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.4 1.062 . . . . 0.0 111.084 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -86.65 113.07 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.247 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -101.24 -170.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.06 . . . . 0.0 110.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -38.88 87.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 110.439 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -61.61 -43.74 98.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.522 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.48 -41.39 94.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CZ3' ' CD1' ' A' ' 50' ' ' LEU . 33.5 t-105 -73.56 -43.09 60.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.977 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.69 -28.26 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.497 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 57.5 t30 -71.6 -21.69 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.695 ' CZ ' ' CG1' ' A' ' 84' ' ' ILE . 0.5 OUTLIER -99.67 -35.38 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.2 tp -68.4 -26.85 65.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -54.23 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.448 ' CB ' HG21 ' A' ' 83' ' ' ILE . . . -57.2 -39.43 75.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' HG21 ' A' ' 83' ' ' ILE . . . -67.71 -24.69 65.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -13.21 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.384 1.052 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -93.04 -9.98 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CD1' HG12 ' A' ' 83' ' ' ILE . 16.7 mt -93.4 -64.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -142.23 97.79 6.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 96.78 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.772 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.59 99.88 0.13 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 117.43 4.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -166.12 50.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.918 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 47.68 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 45.7 t80 59.36 18.6 6.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.83 -47.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -79.76 -13.77 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -55.22 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -16.75 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.567 HD22 ' CZ ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -86.48 -55.91 3.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -19.12 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.25 -25.91 55.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 72' ' ' ILE . 42.4 t80 -95.08 -36.95 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.591 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 11.7 mt -71.35 -58.62 3.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -25.11 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -70.15 -55.58 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.53 -32.37 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.78 -13.48 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -73.92 -4.05 32.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.0 t -150.88 96.6 3.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 110.377 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 68.66 5.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.548 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.44 -22.99 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 9.2 p-90 -94.26 -24.4 17.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -67.86 -55.53 12.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.678 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -44.67 -60.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.678 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -12.24 21.48 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 3.0 tp 38.15 89.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -158.44 117.93 3.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.598 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 11.3 t80 -64.81 -8.84 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 p -67.75 -28.88 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.523 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.1 tt -85.53 -18.97 31.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.425 HD11 ' CE1' ' A' ' 65' ' ' TYR . 5.1 mt -70.36 -62.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.53 -19.37 5.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -72.07 -36.9 69.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.936 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.73 -43.24 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 49' ' ' PHE . 16.0 mt -56.71 115.59 10.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.1 48.44 2.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.1 mttm 28.16 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.22 -2.18 5.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.567 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -39.17 155.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.99 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.24 -173.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.52 21.67 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -59.06 -43.6 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 t -69.53 -40.26 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.44 -25.89 38.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 34' ' ' LEU . 7.9 mt -85.03 -55.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.695 ' CG1' ' CZ ' ' A' ' 27' ' ' PHE . 16.2 mt -58.75 -29.56 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.5 -34.77 73.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 83' ' ' ILE . 18.0 mt -63.74 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD13 ' CE2' ' A' ' 65' ' ' TYR . 20.8 mt -76.96 -46.0 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.83 -49.86 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -19.57 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.95 18.43 6.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.387 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.523 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -146.11 -66.83 0.29 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 91' ' ' GLN . 5.2 m 51.14 24.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 p -178.52 156.26 0.96 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.971 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.25 27.64 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.567 1.824 . . . . 0.0 111.06 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -110.3 61.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.071 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.84 76.98 4.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -57.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.406 1.74 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -120.09 -76.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' A' ' 100' ' ' PRO . . . 167.81 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -75.01 55.88 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 100' ' ' PRO . 2.8 p -39.46 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.08 59.14 5.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.771 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.507 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.8 OUTLIER -46.89 -51.33 39.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.1 Cg_endo -75.05 169.71 22.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -175.96 126.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -144.94 150.67 46.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -179.23 4.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.451 1.764 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.6 m -81.89 70.41 8.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 110' ' ' THR . 54.6 m -66.03 157.49 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 110.326 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.415 ' N ' HG21 ' A' ' 109' ' ' THR . 67.8 p 39.19 88.07 0.1 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.808 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.13 29.87 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.573 1.828 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.47 3.8 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.781 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 155.02 43.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.558 1.82 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 156.02 43.3 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 77.96 3.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.1 m -82.17 153.97 69.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 60.36 5.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 61.36 126.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 66.06 121.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.24 -55.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.4 p -171.21 77.35 0.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.8 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.48 3.81 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.51 1.795 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.11 22.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.43 1.753 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -67.23 173.19 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 28.2 m -108.82 133.06 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 0.0 OUTLIER 170.72 -55.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.95 172.35 16.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.798 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.9 m -108.71 -55.22 2.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.375 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 133' ' ' THR . 75.9 m -133.07 -53.32 0.91 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 133' ' ' THR . 1.3 t 38.84 35.84 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.405 ' CD ' ' C ' ' A' ' 133' ' ' THR . 4.3 pm0 38.9 48.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 10.5 t -158.07 -62.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 0' ' ' HIS . 3.0 tpp 76.06 -55.08 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.68 72.01 0.39 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.92 170.94 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.452 HG12 ' CG ' ' A' ' 5' ' ' HIS . 0.2 OUTLIER -136.43 -175.4 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.452 ' CG ' HG12 ' A' ' 4' ' ' ILE . 32.7 m80 69.65 -67.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.56 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' ILE . . . 104.14 -111.26 3.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -129.8 64.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.16 116.43 65.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -38.75 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 46.6 p -63.38 157.69 62.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 110.455 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.519 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.01 -7.53 19.25 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 111.068 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.519 ' CG1' ' O ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER 164.21 -52.59 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.12 -174.9 2.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 151.73 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.27 76.18 2.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -173.24 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.421 1.748 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.39 179.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.33 51.32 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' CD1' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -148.86 108.76 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 0.711 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 22' ' ' HIS . 2.6 p -160.73 -80.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 21' ' ' THR . 0.6 OUTLIER -149.2 22.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 20' ' ' SER . 5.2 p-80 -109.01 -27.81 9.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.614 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.538 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -109.99 -33.0 6.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CZ3' ' CD1' ' A' ' 50' ' ' LEU . 63.4 t-105 -73.41 -43.11 61.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 108.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 tp -53.21 -25.31 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 47.4 t30 -73.9 -26.97 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.677 ' CE2' ' OH ' ' A' ' 65' ' ' TYR . 3.1 t80 -92.52 -38.22 12.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.72 -15.08 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.372 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -83.4 -56.83 3.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.5 -39.38 76.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.476 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -63.13 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -13.38 59.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -92.08 -12.83 31.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 14.4 mt -101.51 -161.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 12.1 pt20 -40.74 100.63 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 114.53 4.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.83 170.51 17.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.3 Cg_endo -75.03 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.577 1.83 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 94.3 p 50.67 -93.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' ' OG ' ' A' ' 39' ' ' SER . 5.2 p-10 -129.32 132.99 47.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.28 30.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 175.72 44.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.411 ' CE2' ' HA ' ' A' ' 40' ' ' ASP . 15.1 m-85 -114.78 -27.68 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 2.5 pp0? -62.5 -49.93 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.62 -8.48 55.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.533 HD23 ' CE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -95.61 -39.17 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -25.43 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 72' ' ' ILE . 11.5 t80 -76.87 -30.76 56.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.544 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -71.6 -49.62 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -56.26 -27.45 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.6 tt -67.03 -54.04 25.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -57.95 -30.39 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.1 -13.42 26.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -73.23 -4.77 35.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.53 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.3 t -149.3 95.84 3.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.59 5.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.53 ' CG2' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -120.42 -22.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 15.2 p-90 -94.48 -21.6 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD12 ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -71.24 -51.13 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.644 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -47.56 -59.36 5.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.03 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 tp 35.1 88.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.73 112.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.677 ' OH ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 t80 -63.47 -10.69 18.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -59.15 -18.5 36.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -93.31 -18.68 22.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.631 ' CD1' ' CZ ' ' A' ' 65' ' ' TYR . 4.6 mt -68.2 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -22.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -73.51 -34.8 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.04 -51.73 66.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 49' ' ' PHE . 4.9 mt -39.55 99.62 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.94 85.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 77.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . . . -37.03 120.02 0.65 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.57 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -92.98 177.25 2.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.728 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.87 -175.44 2.34 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.52 -171.89 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -101.81 21.18 14.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.38 0.694 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -58.7 -43.89 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.422 ' HA ' HG13 ' A' ' 84' ' ' ILE . 12.2 t -70.09 -38.49 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.437 ' HA ' ' ND2' ' A' ' 85' ' ' ASN . 14.6 mm-40 -58.77 -25.01 62.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.498 ' CG1' ' CD1' ' A' ' 34' ' ' LEU . 5.8 mt -86.9 13.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 27' ' ' PHE . 1.2 mt -120.1 -48.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.521 ' C ' ' OD1' ' A' ' 85' ' ' ASN . 6.0 p30 -53.82 -20.57 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.471 HD12 ' CD2' ' A' ' 34' ' ' LEU . 84.6 mt -76.08 -34.02 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 18.9 mt -73.06 -43.64 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.427 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 8.7 t -62.86 -49.5 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 3.6 ttpt -60.33 -15.39 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -77.27 -54.01 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 88' ' ' VAL . 5.9 pt20 -57.78 -31.99 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 4.0 m -89.4 -35.3 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 89' ' ' LYS . 33.1 t 42.96 93.25 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -137.25 -61.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.06 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -156.58 160.19 30.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.09 40.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -47.15 127.28 10.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.467 ' N ' ' CD ' ' A' ' 100' ' ' PRO . . . 168.02 -54.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -75.0 123.43 7.88 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.39 1.732 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -75.03 -51.52 3.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.2 Cg_endo -74.99 123.91 8.24 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.36 -53.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.4 Cg_endo -74.98 -164.93 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 104' ' ' PRO . 1.1 pt 40.23 -99.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -70.76 118.39 64.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 108.338 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 80.41 2.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.0 m 39.47 64.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 111' ' ' PRO . 1.3 t -63.24 -35.07 79.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' THR . 13.3 m -36.86 97.7 0.14 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.07 172.99 15.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 155.53 43.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.58 3.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 113.43 3.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.435 ' C ' ' OG ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.07 -70.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.512 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.0 OUTLIER 175.85 -56.78 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.5 Cg_endo -74.91 -33.75 4.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 119' ' ' PRO . 1.6 tt0 81.68 -63.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 63.1 -99.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 3.8 p-80 -70.02 107.43 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 123' ' ' VAL . 9.3 p -39.39 99.76 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.414 ' CG ' ' HG2' ' A' ' 120' ' ' GLU . 18.5 Cg_endo -74.9 113.53 3.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.792 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 113.58 3.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 128' ' ' VAL . 18.1 Cg_endo -75.09 168.7 24.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.411 ' CB ' ' O ' ' A' ' 126' ' ' PRO . 0.3 OUTLIER 67.82 -65.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 126' ' ' PRO . 77.5 t -56.05 -80.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.05 154.26 0.32 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.61 30.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.822 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.4 p 38.72 -101.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.0 p 38.83 56.67 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 68.0 p 38.86 85.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -39.1 129.91 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.612 ' O ' ' CD2' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -118.75 64.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.242 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.56 103.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . -102.41 94.29 1.16 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -39.34 -44.47 1.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 0.787 . . . . 0.0 110.238 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 tt -41.78 -46.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER -47.63 172.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.599 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.0 -81.66 0.24 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -41.7 -64.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.45 ' CB ' ' HG2' ' A' ' 11' ' ' PRO . 0.6 OUTLIER 61.42 71.31 0.79 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -67.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.493 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -42.82 -51.28 12.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.391 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 144.91 30.66 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 pt -131.01 72.02 82.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -58.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.17 169.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 62.11 91.6 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -89.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -176.29 52.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.497 ' O ' ' CD1' ' A' ' 60' ' ' LEU . . . 64.34 10.55 42.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tp -152.93 97.55 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 0.792 . . . . 0.0 109.223 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.419 ' HB3' ' ND1' ' A' ' 23' ' ' HIS . 1.1 t -65.39 151.71 45.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -66.84 -61.54 1.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.417 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 20' ' ' SER . 38.7 m170 -62.98 -46.31 88.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' ' CD1' ' A' ' 50' ' ' LEU . 48.4 t-105 -69.58 -43.15 73.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.087 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.6 tp -51.98 -33.73 39.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' O ' HD23 ' A' ' 87' ' ' LEU . 38.8 t30 -64.06 -26.37 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CZ ' HD13 ' A' ' 84' ' ' ILE . 0.5 OUTLIER -91.65 -32.94 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -78.45 -20.61 50.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -71.85 -59.15 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.35 -34.53 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -71.91 -16.56 62.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.84 -16.21 21.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -19.99 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HG ' ' CD1' ' A' ' 86' ' ' ILE . 23.9 mt -62.28 -63.3 1.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER 172.2 92.6 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 55.21 3.87 Favored 'Trans proline' 0 C--N 1.358 1.06 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.73 -161.17 10.9 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.39 7.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -90.35 30.48 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.05 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER 167.08 145.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER 172.75 67.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.928 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -121.53 -83.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.484 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.1 OUTLIER 74.69 -9.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.9 pt20 -80.22 -53.7 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 3.6 mm-40 -65.16 -10.67 33.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -89.28 -41.07 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -66.93 -26.48 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 110.298 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -44.78 83.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.352 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 34.3 t80 -59.39 -34.49 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.56 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 14.8 mt -72.04 -55.68 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -56.58 -27.45 57.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.4 tt -67.26 -55.08 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.594 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.27 -28.22 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tp -64.07 -12.32 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -2.39 28.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.508 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.2 t -151.44 96.61 3.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.448 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 68.16 5.74 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.535 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.24 -22.99 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 10.2 p-90 -95.2 -24.04 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -68.88 -54.36 16.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.651 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -45.49 -60.05 3.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.651 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.02 -10.71 21.29 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.394 1.733 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.43 ' O ' HG22 ' A' ' 63' ' ' ILE . 3.4 tp 38.24 90.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.5 114.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.87 -9.59 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -65.84 -23.02 66.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -89.13 -17.22 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.77 -61.49 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.3 -21.93 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -69.3 -40.3 77.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.92 -40.46 80.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.581 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 8.5 mt -51.73 116.02 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 47.47 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER 29.54 88.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 129.14 -1.24 6.17 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.571 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.4 OUTLIER -36.37 153.58 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 -167.9 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.45 -172.88 0.19 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 20.48 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 1.2 t -60.05 -46.84 93.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 76' ' ' TYR . 4.2 t -67.91 -39.27 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -55.71 -26.43 45.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.452 ' CG1' HD13 ' A' ' 34' ' ' LEU . 4.5 mt -89.2 -51.75 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.447 HD13 ' CZ ' ' A' ' 27' ' ' PHE . 5.5 mt -62.03 -24.89 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -64.29 -33.37 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.498 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 6.6 mt -62.58 -35.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD11 ' CE2' ' A' ' 65' ' ' TYR . 44.1 mt -67.58 -42.79 81.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.44 -50.5 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -18.51 65.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -80.51 -55.62 4.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.422 ' CG ' ' N ' ' A' ' 92' ' ' VAL . 4.6 pt20 -67.56 -53.11 31.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER 54.29 19.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -39.57 150.19 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.087 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 150.39 38.01 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 90.5 p -117.3 133.97 55.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.484 ' N ' ' CD ' ' A' ' 97' ' ' PRO . . . 166.13 -53.69 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 96' ' ' ALA . 18.4 Cg_endo -74.98 67.8 5.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 99' ' ' ALA . . . -81.37 157.9 24.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.467 ' N ' ' CD ' ' A' ' 100' ' ' PRO . . . 168.27 -54.61 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.379 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 99' ' ' ALA . 18.2 Cg_endo -75.09 -86.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.415 ' N ' ' HD3' ' A' ' 102' ' ' PRO . 14.6 p -173.88 64.49 0.29 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 103' ' ' THR . 18.1 Cg_endo -74.98 -28.07 9.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.32 -53.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 103' ' ' THR . 17.9 Cg_endo -75.11 99.77 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.428 1.752 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.7 mm -41.87 126.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.22 149.65 0.53 Allowed Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 108.33 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -61.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.489 1.783 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 109' ' ' THR . 0.1 OUTLIER -43.35 -85.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.437 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.445 ' N ' ' OG1' ' A' ' 108' ' ' THR . 0.9 OUTLIER 37.9 81.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.41 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 111' ' ' PRO . 1.8 m 61.63 147.04 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 110' ' ' THR . 18.2 Cg_endo -75.06 171.68 17.85 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.578 1.831 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 170.0 21.37 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.382 1.728 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.5 3.8 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.25 42.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.0 43.05 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.802 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -179.21 4.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.459 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.5 OUTLIER 167.13 -54.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.6 Cg_endo -74.87 -46.43 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.42 1.747 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 42.22 -164.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 74.29 -82.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.85 49.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 80.0 t 40.97 72.89 0.96 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.87 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.792 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.73 39.88 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.792 . . . . 0.0 111.048 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.9 36.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.579 1.831 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -116.76 68.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 p -132.15 56.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -179.37 151.73 0.64 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 -52.33 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.779 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -143.1 -56.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.1 t -41.05 118.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.2 t -102.26 -28.73 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.442 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.27 159.12 30.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 136' ' ' PHE . 10.5 m -151.74 143.49 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 108.272 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.468 ' CG ' ' O ' ' A' ' 135' ' ' CYS . 22.2 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.429 ' CE1' ' HA3' ' A' ' 2' ' ' GLY . 4.3 t-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.29 61.05 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 0' ' ' HIS . . . -87.35 172.63 43.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -144.54 170.56 15.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 0.79 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 tp -173.9 145.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 m80 52.72 176.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.2 167.18 42.06 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -169.21 -64.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 m -137.26 93.47 12.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 58.94 5.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 m 60.73 86.16 0.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.376 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.413 1.744 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -48.03 147.67 3.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.5 Cg_endo -74.91 -179.34 4.87 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -173.54 61.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.43 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -58.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 64.5 87.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.34 -65.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD12 ' CH2' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -77.9 74.55 4.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.9 m -147.49 -80.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.4 m -131.66 16.95 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.46 -65.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.469 ' CE1' HG13 ' A' ' 63' ' ' ILE . 64.9 m80 -82.77 -23.03 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CZ3' HD12 ' A' ' 50' ' ' LEU . 49.1 t-105 -71.74 -43.25 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.5 tp -52.12 -30.66 27.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.28 -25.6 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.667 ' CE2' ' CD2' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -91.55 -34.13 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 111.052 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD12 ' CZ ' ' A' ' 43' ' ' PHE . 17.0 tp -77.13 -14.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' TYR . 2.5 mt-30 -80.83 -63.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.47 -27.67 17.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' N ' HG22 ' A' ' 83' ' ' ILE . . . -77.7 -26.64 50.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -85.39 -6.95 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -99.67 -10.38 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 87.6 mt -88.12 -108.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.49 155.1 44.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' PRO . 18.3 Cg_endo -75.06 139.89 24.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' CA ' ' HA ' ' A' ' 41' ' ' PHE . . . -36.5 97.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.08 67.83 5.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 18.8 m 56.82 67.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 2.0 m-20 155.24 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.362 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER 75.04 -0.21 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER 53.25 22.37 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 41' ' ' PHE . 9.6 m-30 -83.77 -13.03 54.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -56.59 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -58.44 -17.97 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.667 ' CD2' ' CE2' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -85.93 -58.34 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -53.01 -20.16 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -31.37 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.63 ' CE1' ' CG1' ' A' ' 72' ' ' ILE . 18.3 t80 -80.8 -33.91 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.562 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 6.6 mt -70.36 -49.49 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.08 36.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 5.1 tt -71.58 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.78 -28.91 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.74 -12.8 37.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -73.45 -4.06 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.538 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.8 t -150.9 95.12 3.46 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 67.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.547 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.86 -21.64 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 109.221 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 15.8 p-90 -94.91 -23.08 17.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -55.87 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.668 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -45.17 -60.42 3.23 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.668 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.05 -11.3 21.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 ' CE1' ' A' ' 23' ' ' HIS . 1.5 tp 37.95 87.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.96 121.73 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.658 ' CE2' ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -69.87 -2.22 11.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 111.019 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -76.19 -40.12 53.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 59' ' ' TRP . 6.0 tt -74.39 -21.87 59.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.99 -62.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -20.79 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.1 t -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.25 -55.33 22.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.63 ' CG1' ' CE1' ' A' ' 49' ' ' PHE . 80.7 mt -41.52 100.74 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -75.06 50.7 2.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' PRO . 9.7 ttpt 34.82 44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.35 3.23 5.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -100.22 122.95 48.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' GLY . 18.3 Cg_endo -75.1 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.31 173.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 7.2 mmp_? 81.57 -7.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.264 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.3 t -135.03 -80.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 t -61.19 -38.23 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 3.6 mm-40 -57.71 -15.48 8.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.516 ' CG1' ' CD1' ' A' ' 34' ' ' LEU . 5.7 mt -100.05 -37.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.479 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 54.2 mt -75.48 -40.32 41.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 27.4 p-10 -52.72 -26.22 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.465 HD13 ' CD2' ' A' ' 34' ' ' LEU . 19.0 mt -70.9 -35.39 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.658 ' CD1' ' CE2' ' A' ' 65' ' ' TYR . 19.7 mt -70.99 -42.96 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.44 -50.53 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 93' ' ' SER . 4.0 tttt -65.38 -16.79 63.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 7.3 t30 -55.64 -30.8 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -116.59 -42.2 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.6 t -59.63 -16.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.9 t -62.44 150.16 86.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 138.39 22.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.0 t 46.68 95.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.02 159.26 59.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.67 4.64 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.63 62.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.98 77.94 0.25 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.48 40.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.438 1.757 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.416 HG13 ' CD ' ' A' ' 104' ' ' PRO . 2.4 t 63.61 136.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 75.08 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.4 m 66.02 86.81 0.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.416 ' CD ' HG13 ' A' ' 101' ' ' VAL . 18.3 Cg_endo -75.03 0.15 9.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.0 mm -44.79 -85.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -52.0 -54.1 44.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 106' ' ' CYS . 18.3 Cg_endo -74.96 89.06 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.456 1.766 . . . . 0.0 111.042 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.9 m -91.8 61.87 4.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 68.0 p -60.93 179.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.5 t -172.02 70.94 0.46 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.48 3.8 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 113.47 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.809 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 113.47 3.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 111.045 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.56 3.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.63 32.99 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -41.24 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.43 1.753 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.52 160.69 0.13 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.947 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -52.87 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.87 31.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -40.47 -58.46 1.56 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.577 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 4.4 p80 -113.09 57.84 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.594 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.577 ' CG2' ' O ' ' A' ' 122' ' ' HIS . 3.0 m 55.69 159.83 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 113.49 3.81 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.524 1.802 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.44 3.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 143.23 29.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.524 1.802 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.565 ' CE2' HG11 ' A' ' 128' ' ' VAL . 6.2 p90 -165.54 -42.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 127' ' ' TYR . 0.7 OUTLIER -173.94 -165.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.461 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 0.0 OUTLIER 170.1 -55.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.461 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.93 -89.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.8 t -86.43 110.41 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 133' ' ' THR . 13.0 t -100.56 -27.21 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.4 ' N ' HG21 ' A' ' 132' ' ' THR . 18.2 p -69.66 95.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -163.6 61.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 136' ' ' PHE . 25.6 p -56.02 -27.96 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.275 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 135' ' ' CYS . 2.2 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 1' ' ' MET . 56.0 m80 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 11.9 ptp 43.46 -166.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.87 117.92 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.406 ' C ' ' CD1' ' A' ' 4' ' ' ILE . 2.8 tt0 -74.92 59.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.406 ' CD1' ' C ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 40.5 -158.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -85.97 -64.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.569 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.06 -111.43 2.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 tp 71.6 161.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.37 153.55 0.58 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.69 8.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.445 1.76 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 11' ' ' PRO . 2.5 m -66.29 146.56 99.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.01 -88.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.524 ' C ' ' O ' ' A' ' 11' ' ' PRO . 1.4 pp 31.22 86.92 0.12 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 162.57 36.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.596 1.84 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -142.16 56.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . 167.47 -54.36 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 146.46 32.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 113.43 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.92 133.33 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.448 ' CD2' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -44.93 167.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 1.3 p -148.61 152.22 36.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.389 1.056 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.64 -45.22 73.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -41.47 94.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 15.0 m170 -60.83 -44.76 96.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' CZ3' ' CD1' ' A' ' 50' ' ' LEU . 43.9 t-105 -71.55 -42.78 67.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 7.5 tp -53.86 -31.08 48.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 10.0 t-20 -67.58 -13.78 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.633 ' CD2' ' OH ' ' A' ' 65' ' ' TYR . 1.3 t80 -108.84 -34.3 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.08 -23.08 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.21 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 2.0 mt-30 -70.69 -59.06 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.381 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -54.84 -35.24 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.458 ' CB ' HG22 ' A' ' 83' ' ' ILE . . . -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.69 -17.11 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -91.09 -11.91 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' A' ' 83' ' ' ILE . 30.9 mt -81.08 -108.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 179.58 145.45 0.38 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -171.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.423 1.749 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.22 -89.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 161.81 38.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.6 p -72.7 80.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 23.1 t70 178.84 -37.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CG ' ' C ' ' A' ' 40' ' ' ASP . 3.4 m-85 74.84 11.3 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 67.24 50.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -107.44 -39.2 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -53.34 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.43 ' O ' ' NE ' ' A' ' 48' ' ' ARG . 10.0 pt20 -68.5 -6.99 28.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.566 HD12 ' CD1' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -94.7 -40.21 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.239 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 -20.59 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 45' ' ' GLN . 24.3 ptt180 -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 40.4 t80 -67.6 -34.91 77.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.587 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 7.6 mt -71.11 -51.69 23.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -54.3 -26.02 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.582 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.7 tt -69.41 -56.45 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -58.05 -32.79 68.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.59 -13.51 32.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -73.03 -4.41 32.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.512 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 12.3 t -151.46 96.5 3.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 68.93 5.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.547 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -120.26 -21.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 10.8 p-90 -94.72 -23.7 17.45 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.59 1.181 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -67.52 -55.37 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.675 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -45.62 -60.65 3.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -75.0 -10.97 21.45 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.55 1.816 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 23' ' ' HIS . 2.6 tp 37.78 88.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -157.44 118.06 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.633 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.6 t80 -65.12 -8.99 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.2 p -66.76 -34.19 77.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.516 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -78.99 -18.41 53.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.14 -61.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.01 -20.71 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -74.01 -40.7 62.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.582 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.32 -42.48 86.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.382 1.051 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.578 HG12 ' CZ ' ' A' ' 49' ' ' PHE . 17.3 mt -42.67 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -75.03 114.27 3.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.2 tttt 37.21 50.34 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 59.31 123.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.546 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -84.11 173.16 7.7 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 0.739 . . . . 0.0 110.972 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.546 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 -169.18 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.413 ' HA3' ' NE2' ' A' ' 45' ' ' GLN . . . 48.07 -171.58 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -93.09 19.6 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -56.67 -41.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.08 -39.94 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -27.72 60.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.514 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 7.5 mt -83.55 -12.03 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 72' ' ' ILE . 70.1 mt -102.82 -35.85 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.33 -25.02 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 34' ' ' LEU . 15.9 mt -72.57 -35.74 51.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.523 HD11 ' CE1' ' A' ' 65' ' ' TYR . 27.6 mt -65.09 -42.7 93.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -69.14 -49.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -2.22 32.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.196 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 91' ' ' GLN . 5.6 p-10 -55.33 -19.57 9.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 12.9 tp60 85.22 66.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 37.2 t -155.2 -46.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.484 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -39.48 -52.91 4.44 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 93' ' ' SER . 18.3 Cg_endo -75.01 173.31 14.74 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.4 p -172.63 169.78 4.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -172.02 84.02 0.46 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 56.34 4.21 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.54 1.811 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' ALA . . . 56.13 169.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ALA . . . -39.55 100.0 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ALA . 18.1 Cg_endo -75.05 -55.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.468 ' O ' ' HD2' ' A' ' 104' ' ' PRO . 22.5 m 40.28 63.68 5.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.477 ' HA ' ' CG2' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.08 -9.78 20.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.578 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 0.8 OUTLIER -71.37 -60.34 2.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.438 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.578 ' HD3' ' CB ' ' A' ' 103' ' ' THR . 18.3 Cg_endo -75.02 -56.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.585 1.834 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.507 ' CG1' ' O ' ' A' ' 104' ' ' PRO . 7.5 pt 51.48 34.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -72.09 -54.06 6.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 106' ' ' CYS . 18.4 Cg_endo -75.02 178.99 6.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 110' ' ' THR . 43.3 p -41.07 -54.05 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.9 m 63.75 -78.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 108' ' ' THR . 41.0 p -51.95 159.5 1.39 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.5 3.81 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.53 1.806 . . . . 0.0 111.039 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 113.46 3.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.53 3.81 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 173.49 14.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.396 1.735 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 113.56 3.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.541 1.811 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.58 29.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.75 150.14 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.92 23.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.45 71.18 10.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -155.47 115.01 3.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 59.68 58.07 2.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.672 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 66.7 t -127.31 72.83 77.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 113.56 3.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.458 ' O ' ' CD1' ' A' ' 127' ' ' TYR . 18.2 Cg_endo -75.01 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 126' ' ' PRO . 29.2 m-85 -145.53 -59.39 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 t -142.6 121.16 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 1.5 tp10 -73.24 -52.01 5.57 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.95 132.72 15.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.9 p -65.23 -45.48 84.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 134' ' ' GLN . 80.4 p -39.59 -59.27 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 28.6 m 63.93 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 132' ' ' THR . 0.1 OUTLIER -103.85 -54.08 2.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 13.9 p 41.92 38.87 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 108.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 136' ' ' PHE . 6.6 p90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 13.9 m80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mmt 61.96 124.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.33 136.11 10.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 3' ' ' GLN . 17.0 mm-40 -144.34 -67.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.4 mm -147.59 -53.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -40.24 111.32 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.578 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.64 -147.56 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.3 mt -151.47 -88.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.488 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -77.4 -52.37 1.78 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.966 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.3 Cg_endo -74.99 61.79 5.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -38.71 150.51 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.17 3.73 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -40.85 147.69 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.02 177.74 8.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.437 1.756 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.33 85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.41 154.53 73.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.777 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.59 51.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.96 78.49 1.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' C ' ' NE2' ' A' ' 23' ' ' HIS . 3.5 mm? 40.69 49.49 2.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.654 ' CB ' ' CE1' ' A' ' 22' ' ' HIS . 4.8 p 38.04 -149.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 21' ' ' THR . 3.2 m -145.59 28.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.654 ' CE1' ' CB ' ' A' ' 20' ' ' SER . 12.0 p-80 -123.11 -44.43 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.624 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.586 ' CE1' ' OG ' ' A' ' 20' ' ' SER . 1.9 p-80 -84.58 -30.17 25.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CH2' HD13 ' A' ' 50' ' ' LEU . 25.4 t-105 -75.17 -43.97 49.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 108.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 tp -52.08 -28.04 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.343 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 27.3 t30 -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.534 ' CE1' HD12 ' A' ' 46' ' ' LEU . 1.9 t80 -86.22 -40.05 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 43' ' ' PHE . 9.6 tp -65.74 -11.97 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -84.98 -57.12 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.38 87.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.82 -37.29 71.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -72.9 -17.93 61.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.175 . . . . 0.0 111.046 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -9.39 56.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 86' ' ' ILE . 15.8 mt -112.65 -164.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 40.29 90.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.92 4.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.504 1.792 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.46 106.57 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.165 . . . . 0.0 111.045 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.4 Cg_endo -74.94 163.81 34.68 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 2.4 t 85.24 -47.94 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 0.0 109.98 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.47 107.6 17.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.652 ' CD2' ' CE2' ' A' ' 43' ' ' PHE . 32.9 m-85 -93.79 -29.21 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 41' ' ' PHE . 4.0 m-20 78.12 32.91 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' CE2' ' CD2' ' A' ' 41' ' ' PHE . 13.0 m-85 -60.45 -15.04 22.82 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.7 pt20 -67.08 -53.2 33.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 10.1 mt-30 -70.48 -7.94 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.534 HD12 ' CE1' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -93.75 -40.52 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.36 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -59.17 -25.37 63.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -41.05 95.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CZ ' HD13 ' A' ' 84' ' ' ILE . 6.8 t80 -68.47 -51.81 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.558 HD13 ' CH2' ' A' ' 24' ' ' TRP . 9.8 mt -61.46 -39.6 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -67.38 -28.03 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.7 tt -70.38 -57.35 4.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -55.56 -30.23 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.53 -12.48 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -76.18 -1.08 24.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.516 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 13.2 t -153.61 96.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 68.29 5.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.552 ' O ' ' CG ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -119.32 -21.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.587 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 11.2 p-90 -95.76 -22.54 17.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 107.931 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.75 -55.47 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.668 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -46.44 -60.25 3.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.668 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.96 -11.32 21.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.512 HD12 ' CG ' ' A' ' 23' ' ' HIS . 2.2 tp 36.89 88.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -158.08 117.58 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.691 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -64.66 -8.89 16.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -67.54 -22.79 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.04 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.4 tt -91.54 -15.97 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD21 ' CZ ' ' A' ' 49' ' ' PHE . 5.5 mt -65.16 -61.68 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.77 -27.46 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -36.3 83.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -71.95 -3.57 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.535 ' CG2' ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -129.1 64.48 71.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.47 ' HD3' ' C ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.02 58.31 4.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt 75.48 48.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . -115.03 -109.75 2.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.486 ' C ' ' O ' ' A' ' 75' ' ' GLY . 2.9 m-85 -30.48 143.68 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 78' ' ' GLY . 18.0 Cg_endo -75.07 -178.76 4.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.99 175.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.58 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 1.8 ttm-85 90.11 -9.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 81' ' ' VAL . 23.0 t -132.42 -82.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.535 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 6.6 t -56.22 -40.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 1.8 pt-20 -54.5 -20.92 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 5.3 mt -98.54 -25.81 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.651 ' CG2' ' CE2' ' A' ' 65' ' ' TYR . 1.4 mt -78.16 -50.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.06 -20.37 6.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.476 ' CD1' HD23 ' A' ' 34' ' ' LEU . 59.0 mt -79.75 -34.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD11 ' CE2' ' A' ' 65' ' ' TYR . 81.7 mt -59.27 -42.56 91.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 t -66.5 -53.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -20.49 18.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.071 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -89.65 -22.14 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.61 -57.51 4.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 94' ' ' PRO . 11.4 p -174.6 64.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.38 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.6 p -38.74 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 97' ' ' PRO . 18.4 Cg_endo -75.0 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -162.33 -43.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.957 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.465 ' N ' ' CD ' ' A' ' 97' ' ' PRO . . . -40.48 -54.64 4.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 96' ' ' ALA . 18.5 Cg_endo -74.99 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 73.68 -59.73 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.69 74.37 69.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.34 29.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.416 ' O ' ' HD2' ' A' ' 104' ' ' PRO . 66.2 t -132.07 67.72 79.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 103' ' ' THR . 18.2 Cg_endo -75.03 5.15 4.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER -33.97 -54.59 0.81 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.46 ' HD3' ' CB ' ' A' ' 103' ' ' THR . 18.2 Cg_endo -74.97 137.64 22.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.412 HG12 ' N ' ' A' ' 106' ' ' CYS . 0.2 OUTLIER -117.11 -39.52 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.412 ' N ' HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -177.04 75.48 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.04 -31.46 6.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 t -64.03 76.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.455 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 107' ' ' PRO . 0.6 OUTLIER 55.37 166.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.446 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 111' ' ' PRO . 2.5 m -138.62 146.48 50.79 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 110' ' ' THR . 18.4 Cg_endo -74.97 155.58 43.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.93 17.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.9 42.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 155.48 43.2 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.383 1.728 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 155.53 43.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -1.66 11.5 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.34 151.02 24.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -178.83 4.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.436 1.756 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -35.44 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -146.37 -78.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -174.37 119.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.593 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.411 ' N ' ' HD3' ' A' ' 124' ' ' PRO . 6.2 p 42.3 64.64 5.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 123' ' ' VAL . 18.3 Cg_endo -74.96 156.18 43.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.13 34.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 64.07 6.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.41 115.7 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 51.0 t -90.47 94.55 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.95 163.11 67.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 57.78 4.7 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.9 m 59.66 117.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 12.8 t -174.31 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 14.8 t -137.62 165.62 25.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -165.41 72.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.6 t 67.41 165.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.9 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 21.6 m170 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttp 56.29 59.9 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -42.57 132.73 4.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.28 85.52 1.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.409 0.711 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -169.95 -42.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.285 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -46.24 -62.74 1.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.02 -97.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -169.31 173.16 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.251 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' N ' HD21 ' A' ' 7' ' ' LEU . 89.9 p -113.54 93.87 29.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.026 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' CD ' HD23 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.97 136.28 20.25 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.499 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -46.34 -51.26 35.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.435 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 85.69 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' CD1' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -146.44 137.52 12.77 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 109.24 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 12' ' ' ILE . 18.3 Cg_endo -74.96 58.22 4.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' NZ ' ' O ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -157.73 42.39 0.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.88 153.94 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.237 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ARG . 17.9 Cg_endo -75.04 53.7 3.43 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER 48.7 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.654 1.221 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.7 140.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.535 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 8.7 mt -80.19 82.03 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.24 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' LEU . 18.9 p -38.25 153.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 p -73.5 57.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -132.37 -45.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.539 ' CD2' ' C ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -100.89 -36.33 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.646 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CZ3' ' CD1' ' A' ' 50' ' ' LEU . 57.0 t-105 -75.77 -46.21 32.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tp -53.01 -19.48 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -76.73 -30.68 56.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.62 ' CD1' ' OH ' ' A' ' 65' ' ' TYR . 12.2 t80 -85.66 -45.0 12.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 6.4 tp -53.91 -18.2 3.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.49 -59.85 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.79 85.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.48 -20.75 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -88.64 -28.82 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -23.14 61.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 83' ' ' ILE . 38.8 mt -83.64 -159.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.88 80.32 10.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.93 4.07 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.76 -154.18 13.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.562 1.164 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -66.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 p -132.49 8.04 4.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 0.0 109.996 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 168.2 115.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 14.4 t80 -89.75 -64.55 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.391 1.057 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 41' ' ' PHE . 24.9 m-20 -167.5 63.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -66.68 -8.52 28.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -67.38 -56.78 8.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.17 -11.41 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' CD2' HD13 ' A' ' 50' ' ' LEU . 1.1 tt -88.8 -41.13 12.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -65.21 -38.91 91.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 49' ' ' PHE . 35.9 ptt180 -64.9 -35.17 80.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 80' ' ' VAL . 15.1 t80 -63.1 -44.11 96.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.686 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 10.8 mt -68.64 -49.51 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -58.24 -27.48 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.405 1.066 . . . . 0.0 109.366 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.2 tt -66.31 -52.86 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -59.99 -31.48 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.02 -29.52 29.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -10.14 47.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.58 ' CG2' ' CG2' ' A' ' 58' ' ' ILE . 2.8 m -125.58 85.75 58.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 53.82 3.46 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.527 1.804 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.58 ' CG2' ' CG2' ' A' ' 56' ' ' THR . 0.1 OUTLIER -115.86 -20.78 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 23.2 p-90 -96.97 -20.64 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.3 -51.45 20.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.368 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -49.08 -59.47 6.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.01 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.446 HG21 ' C ' ' A' ' 62' ' ' PRO . 2.6 tp 37.48 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -163.0 114.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CE1' ' CD1' ' A' ' 68' ' ' LEU . 13.2 t80 -69.18 -4.57 18.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.522 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -91.89 -17.65 24.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.626 ' CD1' ' CE1' ' A' ' 65' ' ' TYR . 4.6 mt -62.32 -59.94 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -22.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 t -73.77 -46.11 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.04 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -55.34 -41.86 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.503 HG12 ' CE2' ' A' ' 49' ' ' PHE . 5.1 mt -38.82 99.24 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.01 91.92 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER 67.74 149.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.363 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.67 117.56 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.41 160.54 31.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.29 -175.25 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.65 19.52 20.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 0.74 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -60.7 -47.3 93.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.5 t -65.49 -38.28 82.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.632 1.208 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -57.63 -16.41 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.61 ' HB ' ' CE1' ' A' ' 27' ' ' PHE . 7.1 mt -91.94 -18.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 72' ' ' ILE . 10.9 mt -94.9 -49.44 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 20.2 p-10 -48.83 -24.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.467 ' N ' ' OD1' ' A' ' 85' ' ' ASN . 25.6 mt -75.3 -40.65 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.507 HD13 ' CE2' ' A' ' 65' ' ' TYR . 24.6 mt -63.41 -40.83 98.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 5.8 t -68.71 -48.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -3.02 37.09 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' ILE . 4.6 p-10 -53.71 -23.48 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 0.8 OUTLIER 179.57 63.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 88' ' ' VAL . 83.0 t -144.33 -58.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m 44.76 88.79 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 171.82 17.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.54 1.811 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.4 p -145.76 -47.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.048 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.464 ' N ' ' CD ' ' A' ' 97' ' ' PRO . . . -41.96 -54.62 6.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 96' ' ' ALA . 18.2 Cg_endo -74.97 -36.79 2.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 49.22 60.89 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.058 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.86 163.49 67.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.71 5.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.665 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 20.9 t -76.7 -42.96 3.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.03 -76.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 102' ' ' PRO . 1.2 t -36.9 97.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.94 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.14 31.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 m -46.03 150.46 1.05 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 142.61 28.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 73.2 p 38.86 -154.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.5 t 41.94 -163.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 p 40.51 70.17 1.63 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 110.393 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.35 18.48 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.521 1.801 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.566 1.824 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.63 30.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.46 42.98 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.16 43.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.71 10.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.4 m -68.32 157.77 86.66 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 121' ' ' ALA . 18.7 Cg_endo -74.93 64.98 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 64.78 -75.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 119' ' ' PRO . . . -175.81 -59.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 70.51 -63.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.528 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.424 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 23.6 m -117.52 87.42 25.53 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 155.23 43.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.24 42.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 55.82 4.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.578 1.831 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 129' ' ' GLU . 3.8 p90 -72.08 172.96 9.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 52.6 t 63.78 -79.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -114.22 92.06 25.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 156.96 42.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 77.7 p 44.13 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.059 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.7 t -172.65 138.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.39 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 11.6 p 38.87 -153.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 64.68 157.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.57 167.5 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.041 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.411 ' NE2' ' O ' ' A' ' 3' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttp 178.73 139.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.33 -61.12 4.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.411 ' O ' ' NE2' ' A' ' 0' ' ' HIS . 0.0 OUTLIER -67.38 138.17 56.52 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 0.787 . . . . 0.0 110.246 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 53.4 mt -121.37 73.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.19 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.547 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.91 65.21 2.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -117.94 -45.29 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.6 p -117.4 150.21 46.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.57 ' O ' ' CG2' ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 179.09 6.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.57 ' CG2' ' O ' ' A' ' 9' ' ' PRO . 5.5 t 58.14 145.7 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.378 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 10' ' ' THR . 18.4 Cg_endo -75.0 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.0 tt -150.67 74.59 8.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 0.21 9.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 0.0 111.003 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -15.93 25.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' CD ' ' A' ' 16' ' ' PRO . . . -65.13 -54.58 32.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.39 1.056 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.468 1.773 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.494 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 4.0 tpt180 56.48 93.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.32 -94.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 20' ' ' SER . 6.3 tp -104.34 105.51 15.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.494 ' OG ' ' CZ ' ' A' ' 17' ' ' ARG . 2.0 t 162.38 115.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' HIS . 4.9 m 57.77 160.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.458 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 68.92 -67.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 73.0 m-70 -77.29 -43.65 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.605 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.466 ' CZ3' HD13 ' A' ' 50' ' ' LEU . 52.1 t-105 -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 107.965 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 tp -53.52 -26.64 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 58.1 t30 -73.01 -23.54 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.632 ' CE2' ' OH ' ' A' ' 65' ' ' TYR . 2.6 t80 -95.29 -40.27 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.065 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.62 -30.33 71.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -71.45 -51.77 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' CB ' HD22 ' A' ' 87' ' ' LEU . . . -59.31 -44.74 92.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.07 -24.95 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -23.91 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -11.89 60.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 83' ' ' ILE . 16.7 mt -100.54 -160.69 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER 168.91 -54.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 35' ' ' GLN . 18.1 Cg_endo -75.01 122.43 7.2 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.76 152.55 6.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.0 Cg_endo -75.04 -89.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 8.7 p 68.8 -64.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' N ' ' OG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER 159.9 -72.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 41' ' ' PHE . 78.5 t80 -141.27 14.48 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 2.4 m-20 65.34 50.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 42' ' ' ASP . 1.3 m-85 171.1 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -65.75 -54.38 27.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.53 -20.38 55.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.487 ' CD2' ' CE1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -82.58 -56.25 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -20.7 18.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 4.91 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.701 ' CZ ' ' CD1' ' A' ' 72' ' ' ILE . 15.1 t80 -117.36 -38.48 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 HD13 ' CZ3' ' A' ' 24' ' ' TRP . 7.3 mt -68.83 -54.53 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -27.63 49.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 1.5 tt -65.98 -51.98 53.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -57.86 -29.74 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.43 -12.43 43.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -75.7 -2.8 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.521 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.7 t -150.04 95.8 3.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.519 1.799 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.521 ' CG2' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -119.87 -22.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 15.8 p-90 -95.81 -21.96 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -51.39 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.645 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.85 -59.42 5.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -74.97 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.3 tp 35.79 89.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -169.6 112.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.632 ' OH ' ' CE2' ' A' ' 27' ' ' PHE . 1.3 t80 -64.23 -9.89 20.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -60.13 -18.91 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.3 tt -92.56 -17.89 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.57 ' CD1' ' CZ ' ' A' ' 65' ' ' TYR . 4.9 mt -69.67 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.14 -22.03 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -74.89 -36.17 62.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.071 . . . . 0.0 109.951 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.475 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.55 -41.98 77.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.701 ' CD1' ' CZ ' ' A' ' 49' ' ' PHE . 36.1 mt -65.67 126.11 91.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.97 47.75 1.82 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.429 1.752 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 22.92 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.72 -7.52 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.487 1.117 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -44.01 166.1 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.369 0.688 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 -172.23 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.93 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 23.78 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -57.86 -44.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.2 t -63.83 -39.39 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -27.09 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 34' ' ' LEU . 11.5 mt -77.62 -28.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.609 HG12 ' CE2' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.9 -38.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -52.81 -26.6 14.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.447 HD13 ' CD2' ' A' ' 34' ' ' LEU . 18.9 mt -75.79 -36.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 10.4 mt -76.18 -42.9 44.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 4.9 t -59.79 -47.13 92.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -16.61 32.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -96.52 -14.33 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -129.86 42.1 3.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 88' ' ' VAL . 1.7 m -103.88 -39.18 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -56.04 -54.32 53.71 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.2 Cg_endo -75.08 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.06 -60.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.476 ' N ' ' CD ' ' A' ' 97' ' ' PRO . . . -43.0 -54.36 9.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 96' ' ' ALA . 18.2 Cg_endo -75.03 164.99 32.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.74 94.71 10.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.75 70.04 81.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 1.5 t -76.83 -46.92 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -74.94 166.61 28.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.442 1.759 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.02 154.37 24.19 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.17 3.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.6 tp -52.32 -38.39 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 22.1 m -44.77 118.5 3.48 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 108.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.91 4.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.551 1.816 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 71.8 p -40.44 -51.61 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.4 p -141.07 128.36 21.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 111' ' ' PRO . 2.5 m 63.14 146.67 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.463 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.07 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.2 16.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.444 1.76 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.57 3.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 113.57 3.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 155.91 42.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 165.7 30.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 58.62 4.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.455 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.0 OUTLIER -78.02 -54.08 1.34 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.4 Cg_endo -74.94 66.74 5.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.6 69.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.436 ' C ' ' CG ' ' A' ' 122' ' ' HIS . . . 63.36 143.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.616 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -176.26 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.631 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.2 p 40.6 86.87 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.56 28.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.43 1.753 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.08 42.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -38.94 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -91.93 157.66 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.416 ' CB ' ' OG1' ' A' ' 132' ' ' THR . 32.7 m -143.81 92.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 0.0 OUTLIER -78.05 -52.09 1.59 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.2 Cg_endo -75.04 55.75 4.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' PRO . 1.5 t 38.47 49.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.416 ' OG1' ' CB ' ' A' ' 128' ' ' VAL . 53.0 m 50.41 -102.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 72.5 p -46.47 128.11 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 38.89 -157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.52 160.64 25.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 54.4 t60 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.5 55.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.71 54.21 0.04 OUTLIER Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.74 157.03 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 0.801 . . . . 0.0 110.357 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.6 mm -143.26 -73.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.432 ' CG ' ' N ' ' A' ' 6' ' ' GLY . 18.0 p-80 -130.67 -56.08 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.432 ' N ' ' CG ' ' A' ' 5' ' ' HIS . . . -151.47 67.19 0.34 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 pp -155.98 176.84 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.458 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 168.3 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.002 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.4 Cg_endo -75.01 -179.66 5.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.08 154.41 43.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.389 1.731 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pp -138.85 154.55 72.93 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.28 27.4 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.61 95.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 39.92 88.9 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.07 -18.16 18.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.447 1.761 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -63.65 77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -136.6 152.86 21.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.624 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER 53.88 -169.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.26 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.608 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 2.3 t 93.98 -65.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -163.69 -47.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.624 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 1.4 p80 -54.06 -17.62 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.614 1.196 . . . . 0.0 109.591 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.608 ' NE2' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -114.64 -41.83 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.549 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -64.23 -43.14 95.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 21' ' ' THR . 10.9 tp -52.56 -34.46 50.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 52.0 t30 -64.83 -19.47 65.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.695 ' CE2' ' CD2' ' A' ' 46' ' ' LEU . 2.6 t80 -103.4 -40.17 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 15.9 tp -61.86 -26.7 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.06 -55.7 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.1 72.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -35.57 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -75.96 -19.37 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -5.68 59.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.539 ' CD1' ' CG1' ' A' ' 83' ' ' ILE . 26.8 mt -99.13 -108.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 40.76 76.36 0.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.5 3.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.426 1.75 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.51 -86.24 0.43 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 127.03 10.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.558 1.82 . . . . 0.0 111.008 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 87.3 p -112.4 -72.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.541 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 0.4 OUTLIER 74.4 -68.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 6.5 m-85 -156.2 -75.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 7.8 t0 68.46 31.73 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -116.49 -16.03 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.89 -53.25 22.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -10.63 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.695 ' CD2' ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -94.75 -56.07 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -20.87 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -87.45 -15.72 36.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 72' ' ' ILE . 6.7 t80 -98.87 -34.37 10.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 mt -69.52 -53.28 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -55.35 -27.11 45.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -66.69 -51.94 50.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -61.39 -32.51 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.94 -11.94 32.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 ptpt -77.47 -3.47 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.545 ' OG1' ' CG2' ' A' ' 58' ' ' ILE . 14.9 t -147.95 94.98 4.24 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 66.69 6.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.545 ' CG2' ' OG1' ' A' ' 56' ' ' THR . 0.1 OUTLIER -120.39 -22.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 53' ' ' ALA . 17.9 p-90 -95.59 -20.63 18.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.43 -49.93 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -48.76 -58.96 7.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.07 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 tp 35.45 89.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.77 111.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.635 ' OH ' ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -63.11 -10.59 15.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.7 p -58.44 -20.65 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.2 tt -93.63 -18.03 22.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 65' ' ' TYR . 4.9 mt -67.58 -61.36 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -78.54 -39.62 37.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -55.91 -43.79 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.575 HG12 ' CE1' ' A' ' 49' ' ' PHE . 4.5 mt -37.42 97.95 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.1 Cg_endo -75.04 109.69 2.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.373 1.723 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLY . 4.7 mmmm 68.76 119.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -33.58 117.91 0.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.4 ' CD2' HG22 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -90.33 170.32 10.43 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 0.768 . . . . 0.0 110.994 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -55.59 172.41 1.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 9.9 mtt85 80.86 1.22 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.438 0.728 . . . . 0.0 110.228 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 84' ' ' ILE . 26.6 t -136.55 -83.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 t -57.71 -39.19 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.43 -21.74 27.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.539 ' CG1' ' CD1' ' A' ' 34' ' ' LEU . 9.0 mt -89.24 -37.12 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.599 HG12 ' CE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -75.61 -33.84 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -54.87 -36.91 65.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.7 mt -64.06 -46.34 94.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 26.4 mt -62.88 -42.61 99.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.6 t -65.15 -52.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -68.12 -9.19 44.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 10.3 t-20 -57.77 -42.12 83.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.521 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 0.3 OUTLIER 173.27 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 91' ' ' GLN . 9.7 p 49.97 23.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m -150.48 86.98 4.95 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.473 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.3 Cg_endo -74.87 -167.94 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.541 1.811 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 2.7 t 84.56 -70.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 109.973 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -156.4 92.16 2.53 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' CB ' ' OD1' ' A' ' 90' ' ' ASN . 18.2 Cg_endo -75.01 -58.03 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 47.46 54.8 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.465 ' N ' ' CD ' ' A' ' 100' ' ' PRO . . . -76.5 -54.07 1.9 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 99' ' ' ALA . 18.4 Cg_endo -74.96 -42.79 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.542 1.812 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.4 p -115.12 90.97 25.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -56.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.5 155.46 37.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' ILE . 18.6 Cg_endo -74.91 157.34 43.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -39.54 148.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.4 t -43.3 136.36 3.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.9 4.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 p 38.81 -153.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -138.2 62.39 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 m -154.33 74.34 6.04 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 156.51 43.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.436 1.756 . . . . 0.0 111.046 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 155.59 42.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.56 1.821 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 113.57 3.82 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.408 1.741 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.53 42.95 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.546 1.814 . . . . 0.0 111.046 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 118' ' ' SER . 18.2 Cg_endo -75.01 -176.75 3.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER 163.02 -52.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.01 -42.69 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.558 1.82 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.73 168.03 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' VAL . . . -88.23 -61.07 1.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.3 m170 66.61 -73.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.536 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' ALA . 20.2 m -143.5 154.77 60.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.75 38.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.809 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 155.46 43.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -54.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.552 1.817 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.522 ' CD1' ' CG ' ' A' ' 130' ' ' PRO . 1.4 m-85 -149.13 149.31 30.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 88.0 t -136.07 -56.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 1.8 mm-40 -39.04 -52.72 3.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.522 ' CG ' ' CD1' ' A' ' 127' ' ' TYR . 18.4 Cg_endo -75.04 -72.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.467 1.772 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 130' ' ' PRO . 14.0 t 46.79 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 67.5 p -84.54 101.58 12.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 22.8 m 51.62 85.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.378 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -45.45 -59.42 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 110.323 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.2 160.91 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.253 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 22' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.566 ' N ' HG22 ' A' ' 21' ' ' THR . 13.8 m80 -43.12 -27.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' N ' ' C ' ' A' ' 21' ' ' THR . 2.6 m-70 -69.13 -57.12 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.659 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.7 t-105 -67.49 -43.6 80.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.992 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -52.13 -36.1 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.559 ' O ' HD21 ' A' ' 87' ' ' LEU . 12.0 t-20 -60.98 -23.49 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.847 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -97.18 -32.53 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 7.4 tp -76.54 -33.69 58.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.25 -50.9 71.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -61.13 -43.01 99.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.84 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -75.86 -19.6 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -78.49 -29.54 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 86' ' ' ILE . 60.2 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.526 0.203 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 17.5 pt20 -64.22 -52.19 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -62.11 -17.0 56.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.847 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -85.3 -56.01 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.99 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -35.38 75.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CE1' HG12 ' A' ' 72' ' ' ILE . 24.5 t80 -84.46 -37.97 20.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.659 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 9.8 mt -65.76 -49.5 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.29 -30.17 68.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.702 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -64.48 -51.26 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.649 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -62.1 -30.66 71.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -53.52 -29.01 34.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -10.45 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.115 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.7 m -121.61 83.7 41.98 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.41 1.069 . . . . 0.0 110.4 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.82 3.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.115 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -118.4 -21.12 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 28.2 p-90 -96.09 -22.41 17.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -68.69 -53.96 19.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.647 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.45 -59.59 5.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.0 -10.19 21.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.4 tp 36.91 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.91 115.26 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.602 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 3.5 t80 -61.25 -12.6 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.5 p -60.34 -24.75 65.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.022 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -92.24 -18.41 23.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 65' ' ' TYR . 5.6 mt -65.1 -61.07 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.94 -20.92 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -45.41 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.672 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.19 -31.24 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.845 HD13 HG22 ' A' ' 81' ' ' VAL . 12.0 mt -58.54 119.74 38.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.6 Cg_endo -74.93 48.53 2.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.779 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 24.69 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.368 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.72 -3.97 5.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.554 1.158 . . . . 0.0 111.027 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.631 ' HB2' HG23 ' A' ' 72' ' ' ILE . 33.1 t80 -37.2 148.53 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.94 -168.56 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . . . 54.18 176.56 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -99.13 17.94 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.311 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.627 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -59.55 -46.56 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.845 HG22 HD13 ' A' ' 72' ' ' ILE . 34.0 t -63.49 -39.64 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -55.4 -27.09 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.242 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.825 HG12 HD12 ' A' ' 34' ' ' LEU . 6.6 mt -85.93 -39.37 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.228 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.658 HD12 HD11 ' A' ' 72' ' ' ILE . 60.5 mt -70.0 -37.51 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -53.29 -29.39 33.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 34' ' ' LEU . 13.5 mt -70.75 -22.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.559 HD21 ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -86.75 -43.31 12.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.46 -48.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -22.14 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.411 ' N ' HG22 ' A' ' 21' ' ' THR . 35.3 t60 -41.23 -40.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.607 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -62.54 -48.01 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.718 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 27.7 t-105 -68.26 -43.0 78.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.4 tp -52.76 -35.91 57.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.752 ' ND2' HD13 ' A' ' 87' ' ' LEU . 50.4 t30 -64.16 -18.46 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CZ ' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -101.76 -34.52 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.77 -24.11 60.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.19 -59.56 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.51 63.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -68.85 -40.72 79.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -10.01 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.3 -3.35 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 86' ' ' ILE . 5.5 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.542 0.211 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.66 -52.14 48.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -4.38 25.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -99.4 -39.28 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -67.49 -10.89 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 2.7 ptm85 -83.06 -41.76 18.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 1.085 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 54.0 t80 -66.48 -34.77 78.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.718 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 21.4 mt -69.77 -56.35 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -26.56 35.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.663 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.4 tt -67.34 -54.66 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.03 -30.58 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.2 tp -62.38 -14.0 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -74.22 -3.72 31.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 56' ' ' THR . 14.0 t -149.87 95.59 3.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 67.2 6.02 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.447 1.761 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.849 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.3 -22.26 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.843 ' HB3' HD22 ' A' ' 67' ' ' LEU . 12.8 p-90 -94.62 -20.55 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -69.99 -56.67 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -44.41 -59.36 3.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -74.95 -14.42 21.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.8 tp 38.24 89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.03 115.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.734 ' OH ' HG23 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.27 -11.85 11.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -17.95 63.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.982 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.86 -17.48 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.51 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.2 mt -66.74 -61.74 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.73 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -66.02 -39.55 90.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.32 -15.29 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.085 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 2.1 mt -117.29 80.24 12.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.31 3.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.22 40.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.97 1.49 5.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.556 ' O ' HG21 ' A' ' 81' ' ' VAL . 6.7 t80 -152.34 70.18 7.5 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.447 0.734 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.691 ' HA ' HG21 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.95 171.3 18.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 159.86 -171.04 36.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -57.03 -31.84 65.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.544 0.791 . . . . 0.0 110.24 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 81' ' ' VAL . 1.2 t -70.53 -58.22 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.814 HG22 HD13 ' A' ' 72' ' ' ILE . 7.1 t -56.3 -39.25 59.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.01 -39.6 78.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.929 HG12 HD12 ' A' ' 34' ' ' LEU . 12.0 mt -70.66 -31.3 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.734 HG23 ' OH ' ' A' ' 65' ' ' TYR . 8.9 mt -80.99 -28.25 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.245 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' VAL . 1.1 m120 -63.02 -37.42 87.1 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 34' ' ' LEU . 13.6 mt -60.04 -37.21 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.752 HD13 ' ND2' ' A' ' 26' ' ' ASN . 29.1 mt -63.77 -43.9 95.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.69 -50.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -32.4 63.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.8 t30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -60.76 -40.7 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -61.16 -45.43 94.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.64 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.9 t-105 -70.82 -43.61 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.039 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.5 tp -52.54 -31.08 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.728 ' OD1' HD22 ' A' ' 87' ' ' LEU . 39.7 t30 -68.1 -24.91 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.84 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -94.03 -34.27 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.909 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 18.3 tp -75.13 -13.93 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' TYR . 23.7 mt-30 -82.76 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' C ' HG23 ' A' ' 83' ' ' ILE . . . -51.39 -32.45 26.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -70.05 -31.63 69.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.562 1.164 . . . . 0.0 109.367 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -80.99 -18.51 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -7.84 59.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 86' ' ' ILE . 72.2 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.477 0.179 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -55.36 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -18.28 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.84 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.33 -57.57 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.2 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -50.66 9.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.5 t80 -61.32 -38.72 87.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.64 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 12.1 mt -65.59 -53.19 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -26.52 62.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.722 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -70.3 -54.51 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -60.99 -30.81 70.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -53.28 -30.41 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -8.29 45.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.111 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.5 m -123.87 83.56 54.81 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 53.58 3.39 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.564 1.823 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.111 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.6 -21.28 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.873 ' HB3' HD22 ' A' ' 67' ' ' LEU . 25.3 p-90 -96.28 -23.43 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -67.73 -54.53 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.663 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -47.23 -60.37 4.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -74.98 -10.25 21.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 36.98 88.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -157.1 117.68 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.498 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -64.51 -9.83 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -33.42 76.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.033 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -83.92 -17.59 40.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.6 mt -65.73 -61.44 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.83 -19.48 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -73.6 -45.46 52.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.5 -34.38 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.749 HG23 ' HB2' ' A' ' 76' ' ' TYR . 18.7 mt -52.7 118.4 13.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -75.04 48.56 2.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 73' ' ' PRO . 7.0 tptp 27.3 89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.76 -2.02 5.6 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.749 ' HB2' HG23 ' A' ' 72' ' ' ILE . 44.1 t80 -35.93 148.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.596 0.821 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.544 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.9 -173.8 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 21.7 13.5 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -58.6 -42.83 85.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.612 HG22 HD13 ' A' ' 72' ' ' ILE . 16.7 t -69.41 -39.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -57.53 -30.23 65.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.741 HG12 HD12 ' A' ' 34' ' ' LEU . 6.8 mt -82.52 -52.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.71 HD12 HD11 ' A' ' 72' ' ' ILE . 62.3 mt -61.95 -28.91 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.509 ' O ' ' ND2' ' A' ' 85' ' ' ASN . 1.1 t-20 -59.89 -33.97 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 34' ' ' LEU . 7.4 mt -63.96 -34.19 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.728 HD22 ' OD1' ' A' ' 26' ' ' ASN . 20.0 mt -72.4 -43.52 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.0 t -70.25 -49.32 55.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -20.75 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -59.34 -49.33 78.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' C ' ' ND1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -59.85 -43.21 94.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.573 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.451 ' CZ3' HD22 ' A' ' 46' ' ' LEU . 26.6 t-105 -67.18 -44.22 80.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.16 -34.86 46.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.655 ' O ' HD21 ' A' ' 87' ' ' LEU . 63.4 t30 -64.99 -20.01 66.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.201 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.81 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -97.61 -34.88 10.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 14.0 tp -73.99 -26.58 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.58 -55.57 12.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.498 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -56.37 -42.37 77.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.604 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -60.05 -36.5 77.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -76.37 -16.29 59.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -83.92 -17.61 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.037 HD21 HD11 ' A' ' 86' ' ' ILE . 27.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.495 0.188 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.458 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 1.7 pp0? -62.92 -48.53 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.458 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 13.8 pm0 -67.43 -24.54 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.81 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -78.55 -54.9 5.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -52.67 -20.17 2.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -35.11 41.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.8 t80 -83.37 -33.63 25.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 6.9 mt -69.24 -51.84 33.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -26.85 46.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.73 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -68.19 -53.2 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -61.13 -31.71 71.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -53.07 -32.21 45.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -9.98 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.102 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.7 m -121.44 82.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.4 3.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.102 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.88 -21.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.857 ' HB3' HD22 ' A' ' 67' ' ' LEU . 25.7 p-90 -95.88 -23.25 16.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.582 1.176 . . . . 0.0 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -68.18 -54.3 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.15 -60.17 4.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.6 Cg_endo -74.94 -9.88 21.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.0 tp 36.62 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -160.47 115.62 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.7 t80 -62.28 -12.09 18.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 t -62.04 -24.42 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.007 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -91.93 -18.34 23.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.489 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.1 mt -64.8 -61.07 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.34 -20.2 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -74.35 -43.08 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.639 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.76 -40.87 69.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.662 HD13 HG22 ' A' ' 81' ' ' VAL . 14.1 mt -49.52 105.65 0.53 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.93 108.01 2.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.423 1.749 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.6 tttm 38.38 62.18 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.23 155.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.723 ' H ' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.86 170.97 8.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.541 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.6 Cg_endo -74.92 -167.8 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.95 -169.91 0.11 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.28 17.86 21.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.236 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.654 HG22 ' HG ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -61.52 -48.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.723 HG21 ' H ' ' A' ' 76' ' ' TYR . 38.3 t -66.53 -38.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.9 -33.65 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.84 HG12 HD12 ' A' ' 34' ' ' LEU . 7.1 mt -77.65 -19.13 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.632 HD12 HD11 ' A' ' 72' ' ' ILE . 71.1 mt -89.21 -37.2 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -54.01 -29.33 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.037 HD11 HD21 ' A' ' 34' ' ' LEU . 13.1 mt -68.96 -30.58 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.655 HD21 ' O ' ' A' ' 26' ' ' ASN . 19.3 mt -74.95 -43.86 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -64.28 -50.55 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -55.21 -24.78 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -60.76 -49.32 77.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -58.54 -41.38 85.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.558 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 32.7 t-105 -70.56 -43.94 68.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 25' ' ' LEU . 4.9 tp -52.79 -29.59 28.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.658 ' O ' HD21 ' A' ' 87' ' ' LEU . 50.2 t30 -67.73 -24.4 65.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.371 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 46' ' ' LEU . 1.4 t80 -95.46 -36.88 11.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 12.0 tp -69.17 -25.53 64.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -69.62 -57.81 4.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.516 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . . . -56.69 -36.88 70.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -64.56 -36.51 84.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.171 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -74.19 -16.25 60.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.943 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -10.99 51.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.069 HD21 HD11 ' A' ' 86' ' ' ILE . 25.0 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.536 0.208 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.73 -56.72 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.42 ' HG3' ' NH1' ' A' ' 79' ' ' ARG . 1.6 mm-40 -59.47 -18.2 37.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.82 -56.47 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -53.73 -21.19 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -72.92 -36.71 67.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CZ ' HG13 ' A' ' 72' ' ' ILE . 27.9 t80 -83.84 -34.44 24.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD11 HD22 ' A' ' 46' ' ' LEU . 7.7 mt -69.87 -56.36 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -28.89 54.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.611 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -65.28 -52.19 55.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.671 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -56.86 -32.34 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.0 tp -62.38 -13.86 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -74.87 -3.22 30.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 56' ' ' THR . 13.6 t -151.15 96.36 3.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 67.73 5.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.758 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -118.62 -21.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.1 p-90 -96.23 -20.49 18.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -70.54 -56.59 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -44.85 -59.18 4.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.04 -14.26 21.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 63' ' ' ILE . 4.2 tp 39.15 91.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -166.3 113.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.84 -14.03 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.5 p -59.57 -23.91 63.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.966 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.004 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -91.22 -17.86 25.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.474 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.6 mt -68.11 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -20.96 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 t -76.01 -37.85 57.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.62 -42.01 78.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.899 HD13 HG22 ' A' ' 81' ' ' VAL . 62.1 mt -51.28 123.74 21.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.494 1.787 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 20.38 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.228 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.04 -10.64 2.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -45.68 160.19 0.28 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 0.718 . . . . 0.0 111.029 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -61.74 177.35 5.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.631 ' C ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER 83.11 -5.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 81' ' ' VAL . 23.1 t -131.46 -82.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.899 HG22 HD13 ' A' ' 72' ' ' ILE . 5.8 t -57.19 -38.97 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.28 -17.66 8.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.777 HG12 HD12 ' A' ' 34' ' ' LEU . 5.2 mt -102.12 -37.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.729 HD11 ' HE2' ' A' ' 27' ' ' PHE . 4.0 mt -70.9 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 44.4 p-10 -52.92 -23.63 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.069 HD11 HD21 ' A' ' 34' ' ' LEU . 25.9 mt -77.84 -33.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 26' ' ' ASN . 25.5 mt -69.26 -42.72 75.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.54 -50.08 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -55.39 -30.38 60.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -51.15 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -59.11 -41.81 89.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 45.0 t-105 -67.8 -43.68 79.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 25' ' ' LEU . 5.1 tp -52.96 -30.83 37.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.708 ' O ' HD21 ' A' ' 87' ' ' LEU . 11.3 t-20 -67.93 -19.14 64.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.848 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -97.44 -33.44 11.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.6 tp -77.27 -26.9 52.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.49 -56.36 7.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB2' HD21 ' A' ' 87' ' ' LEU . . . -54.49 -36.79 64.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -70.34 -26.98 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.96 -17.77 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -25.32 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.848 HD21 HD11 ' A' ' 86' ' ' ILE . 26.9 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.463 0.173 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -52.66 56.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.483 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -61.69 -12.4 16.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.848 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -90.89 -54.93 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -56.92 -24.87 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 8.2 ptm180 -84.49 -42.29 15.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 34.2 t80 -60.53 -39.01 86.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 12.7 mt -70.15 -54.46 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.02 60.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.576 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.8 tt -67.12 -53.98 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.656 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.92 -31.77 63.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.0 tp -62.54 -13.66 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.14 -4.51 33.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 56' ' ' THR . 13.5 t -150.2 96.45 3.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 67.99 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.427 1.751 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.853 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.41 -22.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.824 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.0 p-90 -94.7 -23.14 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.01 -55.28 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.65 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.92 -59.93 3.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.04 -11.02 21.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.514 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.7 tp 37.83 89.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.56 115.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.605 ' CD2' HD12 ' A' ' 68' ' ' LEU . 9.6 t80 -61.74 -11.8 13.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -60.67 -22.56 64.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.4 tt -92.07 -17.19 25.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.605 HD12 ' CD2' ' A' ' 65' ' ' TYR . 4.9 mt -69.94 -62.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.15 -21.48 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -71.08 -38.59 72.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.559 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.33 -41.82 85.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.839 HD11 HD12 ' A' ' 84' ' ' ILE . 6.4 mt -54.74 112.24 3.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.96 48.2 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.8 OUTLIER 29.43 89.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.197 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.46 -3.24 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.783 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -37.53 154.75 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.59 -172.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.531 ' O ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -100.64 20.0 15.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -57.01 -42.89 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.562 HG22 HD13 ' A' ' 72' ' ' ILE . 8.6 t -74.85 -38.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -58.55 -15.39 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.773 HG21 ' HB2' ' A' ' 31' ' ' ALA . 4.4 mt -101.73 -45.73 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.438 1.087 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.839 HD12 HD11 ' A' ' 72' ' ' ILE . 86.0 mt -67.27 -34.23 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 28.4 p-10 -55.85 -25.65 43.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.848 HD11 HD21 ' A' ' 34' ' ' LEU . 13.5 mt -73.47 -30.52 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.708 HD21 ' O ' ' A' ' 26' ' ' ASN . 18.8 mt -74.12 -44.32 54.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.64 -49.87 80.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -14.83 62.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.83 -13.26 31.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.524 ' CG ' HD11 ' A' ' 63' ' ' ILE . 49.3 m80 -102.68 -38.83 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.834 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 24.2 t-105 -72.79 -43.72 62.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.054 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 9.3 tp -53.27 -29.24 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.894 ' OD1' HD13 ' A' ' 87' ' ' LEU . 18.3 t-20 -67.91 -20.98 65.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.17 ' CE1' HD21 ' A' ' 46' ' ' LEU . 1.5 t80 -100.77 -35.91 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 12.3 tp -69.26 -30.82 69.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.84 -48.64 79.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -63.31 -45.2 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.703 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -19.57 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -79.79 -22.37 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.818 HD21 HD11 ' A' ' 86' ' ' ILE . 8.9 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.462 0.172 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -85.88 -59.11 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -16.94 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.17 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -82.21 -54.7 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.11 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.224 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -69.9 -48.79 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 32.7 t80 -66.49 -36.74 83.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.834 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 16.6 mt -70.39 -58.81 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -26.09 38.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -69.45 -55.47 10.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.64 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -56.09 -31.3 63.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.6 tp -62.79 -13.94 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.39 -7.06 40.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 56' ' ' THR . 12.4 t -150.55 97.51 3.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 68.64 5.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.868 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -118.99 -21.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.842 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.1 p-90 -95.25 -22.23 17.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.24 -56.33 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.81 -59.92 3.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -74.94 -13.19 21.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.379 1.726 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.524 HD11 ' CG ' ' A' ' 23' ' ' HIS . 2.6 tp 38.24 88.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -160.01 116.89 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.614 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 7.1 t80 -62.38 -11.47 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -25.18 68.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.988 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -90.77 -18.65 24.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.525 ' HA ' HD23 ' A' ' 68' ' ' LEU . 4.8 mt -67.67 -61.79 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.61 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -73.54 -25.72 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -74.18 -0.98 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.847 HG21 HG22 ' A' ' 81' ' ' VAL . 10.3 mt -117.21 79.3 11.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.444 ' HD2' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 99.35 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER 77.0 151.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.84 116.94 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -93.77 -178.27 0.81 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.98 179.73 5.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.829 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.36 -170.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.448 ' NE ' ' OE2' ' A' ' 82' ' ' GLU . 10.6 mtt180 -101.61 20.83 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.602 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -58.17 -44.89 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.847 HG22 HG21 ' A' ' 72' ' ' ILE . 54.9 t -66.94 -39.47 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 79' ' ' ARG . 1.4 mt-10 -54.95 -29.14 55.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.703 HG23 ' N ' ' A' ' 31' ' ' ALA . 9.7 mt -80.79 -17.96 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.607 HD12 HD12 ' A' ' 72' ' ' ILE . 28.3 mt -96.72 -37.75 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -55.35 -28.66 55.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.818 HD11 HD21 ' A' ' 34' ' ' LEU . 12.1 mt -67.55 -38.07 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.894 HD13 ' OD1' ' A' ' 26' ' ' ASN . 30.4 mt -66.39 -42.98 87.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.6 t -67.74 -48.64 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -3.11 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.2 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.594 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 4.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 88.11 -15.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.569 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -119.62 -51.8 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.596 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.965 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 30.4 t-105 -69.76 -43.2 72.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.179 . . . . 0.0 107.998 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.4 tp -52.36 -35.41 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 87' ' ' LEU . 18.4 t-20 -62.34 -25.81 68.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.651 ' CZ ' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -94.79 -34.28 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 21.8 tp -78.25 -24.3 46.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' LEU . 40.8 mt-30 -70.62 -59.28 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -55.18 -44.4 75.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.06 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -83.67 -18.03 39.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.47 -18.85 28.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.731 HD21 HD13 ' A' ' 86' ' ' ILE . 4.0 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.512 0.196 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -41.96 85.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.84 61.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.897 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -82.74 -56.16 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -52.99 -19.76 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -82.2 -37.05 26.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 32.0 t80 -72.92 -41.51 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.965 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 15.3 mt -68.28 -53.87 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -55.5 -24.75 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.762 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.4 tt -72.0 -59.31 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -53.73 -29.6 40.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -64.26 -11.75 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.85 -0.71 25.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.429 1.08 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 56' ' ' THR . 14.2 t -152.83 95.76 3.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 67.81 5.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.503 1.791 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.861 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.8 -22.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.812 ' HB3' HD22 ' A' ' 67' ' ' LEU . 12.4 p-90 -94.98 -21.71 18.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -70.54 -54.14 13.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.65 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -46.02 -59.49 4.71 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -10.67 21.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.7 tp 37.23 89.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.08 114.47 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.606 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -59.07 -15.16 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -23.78 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.974 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -93.36 -19.13 21.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -69.46 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 -20.52 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -39.69 72.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.02 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.71 -41.29 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.812 HD11 HD12 ' A' ' 84' ' ' ILE . 4.7 mt -55.03 116.21 10.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.95 47.0 1.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 29.02 89.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 131.94 -2.47 5.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.756 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -36.79 155.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 111.041 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.07 -168.95 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.762 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.74 -174.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.34 20.61 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.594 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.0 OUTLIER -59.49 -45.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.615 HG22 HD13 ' A' ' 72' ' ' ILE . 10.1 t -68.25 -39.49 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.89 -23.83 33.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 110.236 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 80' ' ' VAL . 3.9 mt -92.08 -49.22 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 72' ' ' ILE . 72.0 mt -59.85 -43.74 92.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -51.68 -36.85 48.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.208 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.731 HD13 HD21 ' A' ' 34' ' ' LEU . 11.8 mt -67.16 -24.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 26' ' ' ASN . 34.8 mt -74.53 -45.56 44.9 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.416 1.072 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.6 t -63.72 -49.92 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -19.71 10.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' N ' HG22 ' A' ' 21' ' ' THR . 1.7 m80 -41.22 -35.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.601 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -64.17 -50.19 69.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.994 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.8 t-105 -70.16 -43.91 69.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' LEU . 9.2 tp -53.6 -27.68 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.651 ' O ' HD21 ' A' ' 87' ' ' LEU . 18.3 t-20 -71.01 -18.66 62.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.779 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -100.53 -34.19 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.5 tp -74.12 -21.93 59.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.51 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -54.7 -35.76 63.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -71.3 -22.39 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -22.65 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -82.0 -8.06 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 86' ' ' ILE . 89.6 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.478 0.18 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -79.01 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -12.52 24.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.779 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.52 -40.77 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -63.12 -21.84 66.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -71.68 -34.02 69.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 31.1 t80 -73.58 -34.79 65.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.994 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 30.0 mt -70.82 -57.43 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.3 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.676 HD13 ' OH ' ' A' ' 76' ' ' TYR . 3.9 tt -69.0 -56.51 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.653 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -54.62 -30.37 54.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -62.59 -13.75 34.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -74.77 -3.12 29.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 56' ' ' THR . 13.5 t -150.62 95.41 3.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 67.81 5.92 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.87 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.62 -21.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.84 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.5 p-90 -94.91 -22.71 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.96 -55.71 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.657 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -45.64 -60.18 3.7 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.657 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.99 -12.04 21.53 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 110.925 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.8 tp 38.03 89.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.6 117.29 3.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.494 ' CD1' HD12 ' A' ' 68' ' ' LEU . 25.9 t80 -66.06 -7.7 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -70.65 -26.85 63.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.006 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -83.64 -17.91 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.494 HD12 ' CD1' ' A' ' 65' ' ' TYR . 5.8 mt -69.46 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 -20.76 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 t -68.65 -38.51 80.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.41 -44.28 92.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.866 HD11 HD12 ' A' ' 84' ' ' ILE . 3.8 mt -50.31 112.73 2.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 47.87 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 30.11 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.38 -2.22 5.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.736 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -37.21 153.98 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.589 0.817 . . . . 0.0 111.052 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.443 1.759 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.68 -172.95 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 83' ' ' ILE . 53.8 mtp85 -98.5 20.02 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 0.73 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -59.67 -43.93 92.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 10.6 t -72.01 -40.3 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -28.91 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.817 HG12 HD12 ' A' ' 34' ' ' LEU . 6.1 mt -87.25 -60.49 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.866 HD12 HD11 ' A' ' 72' ' ' ILE . 56.1 mt -55.45 -23.79 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.632 1.207 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' VAL . 11.2 t-20 -66.34 -27.28 67.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.22 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.975 HD11 HD21 ' A' ' 34' ' ' LEU . 15.6 mt -73.34 -22.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 26' ' ' ASN . 22.8 mt -80.42 -47.78 13.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.1 t -63.36 -49.52 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -18.25 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 t30 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 0.0 109.311 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 22' ' ' HIS . 93.0 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.492 ' N ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER 81.92 -52.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.598 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.446 ' CG ' ' N ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER -64.3 -49.71 70.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.585 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 46.4 t-105 -68.89 -43.99 74.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -52.89 -29.09 26.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 60.2 t30 -69.52 -22.43 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.106 ' CE1' HD21 ' A' ' 46' ' ' LEU . 7.0 t80 -91.93 -37.64 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 28' ' ' LEU . 7.5 tp -67.63 -30.55 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.96 -51.29 49.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.17 92.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.766 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -63.03 -14.18 44.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.0 -20.35 18.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 8.3 tpm_? -83.66 -28.03 28.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.02 HD21 HD11 ' A' ' 86' ' ' ILE . 36.4 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.494 0.187 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -55.68 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -18.71 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.225 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.106 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.36 -56.6 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.42 -23.9 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.0 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' HG12 ' A' ' 72' ' ' ILE . 9.6 t80 -79.07 -38.14 37.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.585 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -67.07 -47.19 72.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.14 69.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.69 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -64.41 -51.29 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 71' ' ' LEU . . . -61.3 -29.07 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.7 tp -54.23 -22.6 12.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -76.11 -5.3 45.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.13 HG22 ' CG2' ' A' ' 58' ' ' ILE . 2.8 m -128.29 86.39 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 53.28 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.13 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.27 -21.9 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.794 ' HB3' HD22 ' A' ' 67' ' ' LEU . 26.9 p-90 -95.48 -21.65 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD13 ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -70.29 -52.52 22.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.54 -59.6 5.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.04 -4.96 16.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.448 1.762 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 36.36 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -166.93 114.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 27' ' ' PHE . 1.4 t80 -65.2 -8.47 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -62.56 -20.51 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.56 -17.29 23.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.672 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.7 mt -65.76 -60.51 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.85 -21.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 t -76.1 -43.65 42.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -55.22 -42.76 73.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.175 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 84' ' ' ILE . 41.4 mt -37.27 97.59 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.592 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.09 99.64 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 69.07 134.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -36.01 121.4 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.625 ' CD2' HG23 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -87.46 168.16 18.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.76 -170.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -104.05 19.6 19.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.775 . . . . 0.0 110.253 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.849 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -58.39 -47.76 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.501 HG22 HD13 ' A' ' 72' ' ' ILE . 40.9 t -61.5 -38.06 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.59 -35.05 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 80' ' ' VAL . 8.4 mt -70.29 -13.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -100.98 -42.2 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -53.8 -24.83 16.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.02 HD11 HD21 ' A' ' 34' ' ' LEU . 16.9 mt -74.14 -37.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 13.3 mt -71.77 -42.59 66.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.0 t -61.97 -49.6 83.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -61.99 -14.42 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -14.03 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -108.9 -36.8 6.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CE3' ' HB3' ' A' ' 27' ' ' PHE . 28.3 t-105 -70.14 -43.84 70.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.2 tp -53.27 -28.72 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.723 ' O ' HD21 ' A' ' 87' ' ' LEU . 55.4 t30 -70.23 -20.41 63.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.727 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -99.15 -33.64 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -75.19 -32.19 61.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.79 -48.33 81.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . . . -60.75 -46.75 89.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.508 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -57.35 -37.3 72.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -11.73 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -11.23 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.955 HD21 HD11 ' A' ' 86' ' ' ILE . 47.1 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.555 0.217 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.02 -53.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.83 -25.04 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.727 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -80.06 -56.92 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -54.37 -20.04 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -79.62 -38.89 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.763 ' CE2' HD11 ' A' ' 84' ' ' ILE . 12.5 t80 -78.58 -33.45 47.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 ' CD2' ' A' ' 27' ' ' PHE . 7.1 mt -69.83 -52.94 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.53 -28.62 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.725 HD21 HD23 ' A' ' 71' ' ' LEU . 1.3 tt -65.18 -51.34 61.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.655 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -62.33 -31.43 72.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -53.21 -31.37 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -8.81 49.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.108 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.3 m -122.12 83.26 44.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.16 3.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.798 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.108 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.23 -21.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.897 ' HB3' HD22 ' A' ' 67' ' ' LEU . 24.1 p-90 -96.8 -23.65 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -67.65 -54.47 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.67 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.43 -60.44 4.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.396 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.67 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.0 -8.77 20.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.609 1.847 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 63' ' ' ILE . 1.9 tp 36.68 87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -157.72 116.64 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.551 ' HE1' HG23 ' A' ' 84' ' ' ILE . 6.5 t80 -65.42 -15.99 63.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.475 ' CB ' ' OD1' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -61.48 -23.48 65.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 110.024 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.01 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.1 tt -90.88 -19.25 23.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.5 mt -66.34 -60.21 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -21.88 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 68' ' ' LEU . 3.8 t -74.75 -43.68 53.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.725 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.82 -39.73 71.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.863 ' CD1' HG22 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -38.18 102.87 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 121.96 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.758 . . . . 0.0 110.969 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 73' ' ' PRO . 29.9 mtmm 31.64 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.527 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 57.65 121.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -79.67 -176.86 0.78 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.601 0.824 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.574 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 170.43 20.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.01 169.12 3.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.562 ' C ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER 72.63 6.7 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 81' ' ' VAL . 24.6 t -132.7 -82.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.863 HG22 ' CD1' ' A' ' 72' ' ' ILE . 21.5 t -57.8 -39.87 73.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -54.34 -22.25 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.707 HG12 HD12 ' A' ' 34' ' ' LEU . 6.8 mt -92.16 -35.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.763 HD11 ' CE2' ' A' ' 49' ' ' PHE . 20.5 mt -74.33 -36.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -54.29 -31.2 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.955 HD11 HD21 ' A' ' 34' ' ' LEU . 13.8 mt -65.54 -34.89 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.723 HD21 ' O ' ' A' ' 26' ' ' ASN . 21.1 mt -73.64 -42.94 60.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.6 t -64.75 -51.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -14.22 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -61.61 -43.74 98.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.522 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.48 -41.39 94.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.902 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 33.5 t-105 -73.56 -43.09 60.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.977 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.69 -28.26 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.751 ' O ' HD21 ' A' ' 87' ' ' LEU . 57.5 t30 -71.6 -21.69 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.058 ' CE1' HD21 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -99.67 -35.38 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.2 tp -68.4 -26.85 65.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -54.23 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.608 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -57.2 -39.43 75.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.533 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -67.71 -24.69 65.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -13.21 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.384 1.052 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -93.04 -9.98 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.714 HD21 HD11 ' A' ' 86' ' ' ILE . 16.7 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.532 0.206 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -55.22 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -16.75 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.058 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -86.48 -55.91 3.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -19.12 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.25 -25.91 55.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 84' ' ' ILE . 42.4 t80 -95.08 -36.95 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.902 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 11.7 mt -71.35 -58.62 3.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -25.11 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -70.15 -55.58 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.53 -32.37 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.4 tp -62.78 -13.48 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -73.92 -4.05 32.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 56' ' ' THR . 13.0 t -150.88 96.6 3.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 110.377 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 68.66 5.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.906 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.44 -22.99 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HB3' HD22 ' A' ' 67' ' ' LEU . 9.2 p-90 -94.26 -24.4 17.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.86 -55.53 12.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.679 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -44.67 -60.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -12.24 21.48 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 63' ' ' ILE . 3.0 tp 38.15 89.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -158.44 117.93 3.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.758 ' HE2' HG23 ' A' ' 84' ' ' ILE . 11.3 t80 -64.81 -8.84 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 p -67.75 -28.88 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.99 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.1 tt -85.53 -18.97 31.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.539 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.1 mt -70.36 -62.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.53 -19.37 5.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -72.07 -36.9 69.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.936 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.73 -43.24 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.04 HD11 HD12 ' A' ' 84' ' ' ILE . 16.0 mt -56.71 115.59 10.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.1 48.44 2.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.1 mttm 28.16 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.22 -2.18 5.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.798 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -39.17 155.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.99 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.24 -173.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.52 21.67 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -59.06 -43.6 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG22 HD13 ' A' ' 72' ' ' ILE . 4.6 t -69.53 -40.26 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.44 -25.89 38.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.608 HG12 HD12 ' A' ' 34' ' ' LEU . 7.9 mt -85.03 -55.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.04 HD12 HD11 ' A' ' 72' ' ' ILE . 16.2 mt -58.75 -29.56 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.5 -34.77 73.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.714 HD11 HD21 ' A' ' 34' ' ' LEU . 18.0 mt -63.74 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.751 HD21 ' O ' ' A' ' 26' ' ' ASN . 20.8 mt -76.96 -46.0 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.83 -49.86 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -19.57 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.387 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -109.01 -27.81 9.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.614 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.538 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -109.99 -33.0 6.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.918 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 63.4 t-105 -73.41 -43.11 61.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 108.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 25' ' ' LEU . 7.8 tp -53.21 -25.31 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.487 ' O ' HD21 ' A' ' 87' ' ' LEU . 47.4 t30 -73.9 -26.97 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.697 ' CE1' HD11 ' A' ' 46' ' ' LEU . 3.1 t80 -92.52 -38.22 12.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.72 -15.08 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.372 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -83.4 -56.83 3.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.5 -39.38 76.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -63.13 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -13.38 59.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -92.08 -12.83 31.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.092 HD21 HD11 ' A' ' 86' ' ' ILE . 14.4 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.528 0.204 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 2.5 pp0? -62.5 -49.93 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.62 -8.48 55.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.755 ' HG ' HG22 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -95.61 -39.17 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.864 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -70.62 -25.43 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 72' ' ' ILE . 11.5 t80 -76.87 -30.76 56.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.918 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -71.6 -49.62 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -56.26 -27.45 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.731 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -67.03 -54.04 25.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.744 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.95 -30.39 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.2 tp -62.1 -13.42 26.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -73.23 -4.77 35.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 56' ' ' THR . 14.3 t -149.3 95.84 3.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.59 5.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.87 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.42 -22.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.748 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.2 p-90 -94.48 -21.6 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -71.24 -51.13 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.644 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -47.56 -59.36 5.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.03 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 35.1 88.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.73 112.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.675 ' OH ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 t80 -63.47 -10.69 18.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -59.15 -18.5 36.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.005 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.31 -18.68 22.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.744 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.6 mt -68.2 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -22.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -73.51 -34.8 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.04 -51.73 66.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.836 HD13 HG22 ' A' ' 81' ' ' VAL . 4.9 mt -39.55 99.62 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.94 85.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 77.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . . . -37.03 120.02 0.65 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.57 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -92.98 177.25 2.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.728 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.87 -175.44 2.34 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.52 -171.89 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -101.81 21.18 14.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.38 0.694 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.755 HG22 ' HG ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -58.7 -43.89 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.836 HG22 HD13 ' A' ' 72' ' ' ILE . 12.2 t -70.09 -38.49 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.468 ' HA ' ' ND2' ' A' ' 85' ' ' ASN . 14.6 mm-40 -58.77 -25.01 62.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.917 HG12 HD12 ' A' ' 34' ' ' LEU . 5.8 mt -86.9 13.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 27' ' ' PHE . 1.2 mt -120.1 -48.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.521 ' C ' ' OD1' ' A' ' 85' ' ' ASN . 6.0 p30 -53.82 -20.57 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.092 HD11 HD21 ' A' ' 34' ' ' LEU . 84.6 mt -76.08 -34.02 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.487 HD21 ' O ' ' A' ' 26' ' ' ASN . 18.9 mt -73.06 -43.64 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.7 t -62.86 -49.5 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -60.33 -15.39 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.445 ' ND1' HD11 ' A' ' 63' ' ' ILE . 38.7 m170 -62.98 -46.31 88.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.925 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 48.4 t-105 -69.58 -43.15 73.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.087 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -51.98 -33.73 39.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.575 ' OD1' HD22 ' A' ' 87' ' ' LEU . 38.8 t30 -64.06 -26.37 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -91.65 -32.94 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.689 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 15.2 tp -78.45 -20.61 50.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -71.85 -59.15 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -55.35 -34.53 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -71.91 -16.56 62.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.84 -16.21 21.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -19.99 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' A' ' 86' ' ' ILE . 23.9 mt . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.689 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.559 0.219 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.9 pt20 -80.22 -53.7 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 3.6 mm-40 -65.16 -10.67 33.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -89.28 -41.07 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' A' ' 50' ' ' LEU . 7.2 tmm_? -66.93 -26.48 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 110.298 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -44.78 83.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.352 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 34.3 t80 -59.39 -34.49 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.925 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 14.8 mt -72.04 -55.68 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -56.58 -27.45 57.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.4 tt -67.26 -55.08 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.626 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.27 -28.22 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.1 tp -64.07 -12.32 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -2.39 28.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 56' ' ' THR . 13.2 t -151.44 96.61 3.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.448 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 68.16 5.74 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.892 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.24 -22.99 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.846 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.2 p-90 -95.2 -24.04 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -68.88 -54.36 16.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.652 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -45.49 -60.05 3.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.02 -10.71 21.29 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.394 1.733 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 63' ' ' ILE . 3.4 tp 38.24 90.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.5 114.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.87 -9.59 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -65.84 -23.02 66.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.018 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -89.13 -17.22 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.5 mt -67.77 -61.49 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.3 -21.93 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -69.3 -40.3 77.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.92 -40.46 80.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.783 HG23 ' HB2' ' A' ' 76' ' ' TYR . 8.5 mt -51.73 116.02 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 47.47 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER 29.54 88.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 129.14 -1.24 6.17 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.783 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -36.37 153.58 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 -167.9 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.45 -172.88 0.19 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 20.48 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.519 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.2 t -60.05 -46.84 93.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 HD13 ' A' ' 72' ' ' ILE . 4.2 t -67.91 -39.27 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -55.71 -26.43 45.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 31' ' ' ALA . 4.5 mt -89.2 -51.75 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.758 HD12 HD11 ' A' ' 72' ' ' ILE . 5.5 mt -62.03 -24.89 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -64.29 -33.37 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.855 HD11 ' CD2' ' A' ' 34' ' ' LEU . 6.6 mt -62.58 -35.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.575 HD22 ' OD1' ' A' ' 26' ' ' ASN . 44.1 mt -67.58 -42.79 81.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.44 -50.5 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -18.51 65.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.4 t30 . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 21' ' ' THR . 54.4 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.46 -65.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CE1' HG13 ' A' ' 63' ' ' ILE . 64.9 m80 -82.77 -23.03 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.711 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 49.1 t-105 -71.74 -43.25 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 25' ' ' LEU . 7.5 tp -52.12 -30.66 27.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.949 ' ND2' HD13 ' A' ' 87' ' ' LEU . 40.8 t30 -68.28 -25.6 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -91.55 -34.13 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 111.052 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.877 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 17.0 tp -77.13 -14.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' TYR . 2.5 mt-30 -80.83 -63.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.47 -27.67 17.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -77.7 -26.64 50.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -85.39 -6.95 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -99.67 -10.38 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.993 HD21 HD11 ' A' ' 86' ' ' ILE . 87.6 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.877 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 9.6 m-30 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.501 0.191 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -56.59 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -58.44 -17.97 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.02 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -85.93 -58.34 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -53.01 -20.16 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -31.37 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.63 ' CE1' ' CG1' ' A' ' 72' ' ' ILE . 18.3 t80 -80.8 -33.91 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.711 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 6.6 mt -70.36 -49.49 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.08 36.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.571 ' C ' HD23 ' A' ' 52' ' ' LEU . 5.1 tt -71.58 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.78 -28.91 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -63.74 -12.8 37.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -73.45 -4.06 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 56' ' ' THR . 14.8 t -150.9 95.12 3.46 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 67.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.871 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.86 -21.64 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 109.221 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.858 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.8 p-90 -94.91 -23.08 17.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -68.06 -55.87 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.669 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -45.17 -60.42 3.23 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.669 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.05 -11.3 21.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 63' ' ' ILE . 1.5 tp 37.95 87.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.96 121.73 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.658 ' CE2' ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -69.87 -2.22 11.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 111.019 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -76.19 -40.12 53.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.0 tt -74.39 -21.87 59.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.0 mt -69.99 -62.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -20.79 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.1 t -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.545 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.25 -55.33 22.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.902 HD13 HG22 ' A' ' 81' ' ' VAL . 80.7 mt -41.52 100.74 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -75.06 50.7 2.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' PRO . 9.7 ttpt 34.82 44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.35 3.23 5.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.46 ' OH ' HD13 ' A' ' 52' ' ' LEU . 4.5 m-85 -100.22 122.95 48.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' GLY . 18.3 Cg_endo -75.1 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.31 173.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.62 ' C ' HD12 ' A' ' 83' ' ' ILE . 7.2 mmp_? 81.57 -7.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.264 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 81' ' ' VAL . 25.3 t -135.03 -80.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.902 HG22 HD13 ' A' ' 72' ' ' ILE . 4.5 t -61.19 -38.23 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 3.6 mm-40 -57.71 -15.48 8.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.816 HG12 HD12 ' A' ' 34' ' ' LEU . 5.7 mt -100.05 -37.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.692 HD12 HD11 ' A' ' 72' ' ' ILE . 54.2 mt -75.48 -40.32 41.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 27.4 p-10 -52.72 -26.22 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.993 HD11 HD21 ' A' ' 34' ' ' LEU . 19.0 mt -70.9 -35.39 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.949 HD13 ' ND2' ' A' ' 26' ' ' ASN . 19.7 mt -70.99 -42.96 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.44 -50.53 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -65.38 -16.79 63.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 7.3 t30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -41.47 94.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.506 ' CD2' HD11 ' A' ' 63' ' ' ILE . 3.4 m-70 -60.83 -44.76 96.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 1.018 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 43.9 t-105 -71.55 -42.78 67.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 7.5 tp -53.86 -31.08 48.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.703 ' O ' HD21 ' A' ' 87' ' ' LEU . 55.8 t30 -67.58 -13.78 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.924 ' CE1' HD11 ' A' ' 46' ' ' LEU . 1.3 t80 -108.84 -34.3 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 14.4 tp -72.08 -23.08 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.21 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 2.0 mt-30 -70.69 -59.06 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.381 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -54.84 -35.24 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.633 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.69 -17.11 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -91.09 -11.91 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.709 ' CD2' HD11 ' A' ' 86' ' ' ILE . 30.9 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 3.8 m-30 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.553 0.216 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -53.34 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.43 ' O ' ' NE ' ' A' ' 48' ' ' ARG . 26.7 pt20 -68.5 -6.99 28.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.924 HD11 ' CE1' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -94.7 -40.21 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.239 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.626 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -63.27 -20.59 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 45' ' ' GLN . 24.3 ptt180 -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.579 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 40.4 t80 -67.6 -34.91 77.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.018 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 7.6 mt -71.11 -51.69 23.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -54.3 -26.02 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 71' ' ' LEU . 3.7 tt -69.41 -56.45 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -58.05 -32.79 68.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.2 tp -62.59 -13.51 32.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -73.03 -4.41 32.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 56' ' ' THR . 12.3 t -151.46 96.5 3.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 68.93 5.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.878 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.26 -21.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.8 p-90 -94.72 -23.7 17.45 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.59 1.181 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.52 -55.37 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.675 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -45.62 -60.65 3.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -75.0 -10.97 21.45 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.55 1.816 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.6 tp 37.78 88.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -157.44 118.06 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.633 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.6 t80 -65.12 -8.99 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.2 p -66.76 -34.19 77.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.991 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -78.99 -18.41 53.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 68' ' ' LEU . 4.8 mt -69.14 -61.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.01 -20.71 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -74.01 -40.7 62.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.32 -42.48 86.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.382 1.051 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.735 HD11 HD12 ' A' ' 84' ' ' ILE . 17.3 mt -42.67 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -75.03 114.27 3.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.2 tttt 37.21 50.34 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 59.31 123.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.546 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -84.11 173.16 7.7 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 0.739 . . . . 0.0 110.972 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.546 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 -169.18 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.07 -171.58 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -93.09 19.6 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -56.67 -41.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.633 HG22 HD13 ' A' ' 72' ' ' ILE . 47.8 t -73.08 -39.94 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -27.72 60.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 31' ' ' ALA . 7.5 mt -83.55 -12.03 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.735 HD12 HD11 ' A' ' 72' ' ' ILE . 70.1 mt -102.82 -35.85 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.33 -25.02 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.709 HD11 ' CD2' ' A' ' 34' ' ' LEU . 15.9 mt -72.57 -35.74 51.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 26' ' ' ASN . 27.6 mt -65.09 -42.7 93.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -69.14 -49.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -2.22 32.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.196 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' ILE . 5.6 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 21' ' ' THR . 3.2 m . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.561 0.219 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.503 ' NE2' ' ND1' ' A' ' 23' ' ' HIS . 12.0 p-80 -123.11 -44.43 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.624 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.508 ' CG ' HD11 ' A' ' 63' ' ' ILE . 1.9 p-80 -84.58 -30.17 25.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CH2' HD11 ' A' ' 50' ' ' LEU . 25.4 t-105 -75.17 -43.97 49.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 108.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.6 tp -52.08 -28.04 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.647 ' OD1' HD13 ' A' ' 87' ' ' LEU . 7.5 t-20 -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.588 ' CE1' HD11 ' A' ' 46' ' ' LEU . 1.9 t80 -86.22 -40.05 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 9.6 tp -65.74 -11.97 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -84.98 -57.12 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' HB2' HD23 ' A' ' 87' ' ' LEU . . . -58.27 -43.38 87.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -56.82 -37.29 71.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -72.9 -17.93 61.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.175 . . . . 0.0 111.046 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -9.39 56.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.907 HD11 HD12 ' A' ' 86' ' ' ILE . 15.8 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 13.0 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.502 0.191 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.7 pt20 -67.08 -53.2 33.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 10.1 mt-30 -70.48 -7.94 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -93.75 -40.52 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.36 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -59.17 -25.37 63.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -41.05 95.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.89 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 6.8 t80 -68.47 -51.81 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.686 HD11 ' CH2' ' A' ' 24' ' ' TRP . 9.8 mt -61.46 -39.6 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -67.38 -28.03 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.71 HD21 HD23 ' A' ' 71' ' ' LEU . 3.7 tt -70.38 -57.35 4.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.653 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.56 -30.23 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -63.53 -12.48 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -76.18 -1.08 24.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 56' ' ' THR . 13.2 t -153.61 96.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 68.29 5.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.871 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.32 -21.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.84 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.2 p-90 -95.76 -22.54 17.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 107.931 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.75 -55.47 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.666 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -46.44 -60.25 3.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.96 -11.32 21.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.2 tp 36.89 88.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -158.08 117.58 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.98 ' CE2' HG23 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -64.66 -8.89 16.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -67.54 -22.79 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.04 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.019 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.4 tt -91.54 -15.97 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.89 HD22 ' CZ ' ' A' ' 49' ' ' PHE . 5.5 mt -65.16 -61.68 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.77 -27.46 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -36.3 83.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.71 HD23 HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -71.95 -3.57 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.725 HG21 ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -129.1 64.48 71.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HD3' ' C ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.02 58.31 4.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt 75.48 48.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . -115.03 -109.75 2.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.486 ' C ' ' O ' ' A' ' 75' ' ' GLY . 2.9 m-85 -30.48 143.68 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.07 -178.76 4.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.99 175.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.636 ' C ' HD12 ' A' ' 83' ' ' ILE . 1.8 ttm-85 90.11 -9.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 81' ' ' VAL . 23.0 t -132.42 -82.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.725 ' CG2' HG21 ' A' ' 72' ' ' ILE . 6.6 t -56.22 -40.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HG3' HD13 ' A' ' 34' ' ' LEU . 1.8 pt-20 -54.5 -20.92 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.865 HG12 HD12 ' A' ' 34' ' ' LEU . 5.3 mt -98.54 -25.81 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.98 HG23 ' CE2' ' A' ' 65' ' ' TYR . 1.4 mt -78.16 -50.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.06 -20.37 6.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.907 HD12 HD11 ' A' ' 34' ' ' LEU . 59.0 mt -79.75 -34.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.857 HD12 ' CE2' ' A' ' 65' ' ' TYR . 81.7 mt -59.27 -42.56 91.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.748 HG23 ' OH ' ' A' ' 65' ' ' TYR . 2.8 t -66.5 -53.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -20.49 18.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.071 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 59.6 t30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.794 ' HB ' HD22 ' A' ' 25' ' ' LEU . 1.4 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.437 -0.208 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -132.37 -45.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.571 ' HB3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -100.89 -36.33 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.646 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.969 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 57.0 t-105 -75.77 -46.21 32.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 21' ' ' THR . 6.0 tp -53.01 -19.48 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' OD1' HD22 ' A' ' 87' ' ' LEU . 50.4 t30 -76.73 -30.68 56.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.611 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 12.2 t80 -85.66 -45.0 12.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 6.4 tp -53.91 -18.2 3.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.49 -59.85 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.79 85.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -61.48 -20.75 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -88.64 -28.82 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -23.14 61.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.866 HD12 HG12 ' A' ' 83' ' ' ILE . 38.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.504 0.192 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -67.38 -56.78 8.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.17 -11.41 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 46' ' ' LEU . 1.1 tt -88.8 -41.13 12.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -65.21 -38.91 91.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' PHE . 35.9 ptt180 -64.9 -35.17 80.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.553 ' CD2' HG11 ' A' ' 80' ' ' VAL . 15.1 t80 -63.1 -44.11 96.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.969 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 10.8 mt -68.64 -49.51 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -58.24 -27.48 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.405 1.066 . . . . 0.0 109.366 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.774 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 tt -66.31 -52.86 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.677 ' HA ' HD22 ' A' ' 71' ' ' LEU . . . -59.99 -31.48 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.2 tp -53.02 -29.52 29.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -10.14 47.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 1.124 HG22 ' CG2' ' A' ' 58' ' ' ILE . 2.8 m -125.58 85.75 58.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 53.82 3.46 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.527 1.804 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.124 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -115.86 -20.78 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.815 ' HB3' HD22 ' A' ' 67' ' ' LEU . 23.2 p-90 -96.97 -20.64 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -72.3 -51.45 20.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.368 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -49.08 -59.47 6.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.01 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 23' ' ' HIS . 2.6 tp 37.48 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -163.0 114.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.889 ' CE1' HD12 ' A' ' 68' ' ' LEU . 13.2 t80 -69.18 -4.57 18.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.024 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -91.89 -17.65 24.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.889 HD12 ' CE1' ' A' ' 65' ' ' TYR . 4.6 mt -62.32 -59.94 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -22.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 t -73.77 -46.11 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.04 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -55.34 -41.86 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.775 HD11 HD12 ' A' ' 84' ' ' ILE . 5.1 mt -38.82 99.24 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.01 91.92 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER 67.74 149.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.363 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.67 117.56 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.41 160.54 31.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.29 -175.25 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.65 19.52 20.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 0.74 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.843 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.0 OUTLIER -60.7 -47.3 93.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.751 HG22 HD13 ' A' ' 72' ' ' ILE . 20.5 t -65.49 -38.28 82.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.632 1.208 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -57.63 -16.41 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.866 HG12 HD12 ' A' ' 34' ' ' LEU . 7.1 mt -91.94 -18.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.775 HD12 HD11 ' A' ' 72' ' ' ILE . 10.9 mt -94.9 -49.44 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 20.2 p-10 -48.83 -24.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.848 ' CD1' HD21 ' A' ' 34' ' ' LEU . 25.6 mt -75.3 -40.65 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.538 HD12 ' CE2' ' A' ' 65' ' ' TYR . 24.6 mt -63.41 -40.83 98.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.8 t -68.71 -48.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -3.02 37.09 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' ILE . 4.6 p-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' HIS . 4.9 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 68.92 -67.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 73.0 m-70 -77.29 -43.65 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.605 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.628 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 52.1 t-105 -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 107.965 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.4 tp -53.52 -26.64 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.476 ' O ' HD21 ' A' ' 87' ' ' LEU . 58.1 t30 -73.01 -23.54 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.955 ' CE1' HD21 ' A' ' 46' ' ' LEU . 2.6 t80 -95.29 -40.27 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.065 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.62 -30.33 71.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -71.45 -51.77 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.53 ' HB2' HD21 ' A' ' 87' ' ' LEU . . . -59.31 -44.74 92.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -60.07 -24.95 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -23.91 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -11.89 60.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.025 HD21 HD11 ' A' ' 86' ' ' ILE . 16.7 mt . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.552 0.215 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -65.75 -54.38 27.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.53 -20.38 55.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.955 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -82.58 -56.25 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -20.7 18.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 4.91 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.893 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 15.1 t80 -117.36 -38.48 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 46' ' ' LEU . 7.3 mt -68.83 -54.53 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -27.63 49.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.694 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 tt -65.98 -51.98 53.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.681 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.86 -29.74 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.8 tp -64.43 -12.43 43.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -75.7 -2.8 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 56' ' ' THR . 14.7 t -150.04 95.8 3.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.519 1.799 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.87 -22.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.708 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.8 p-90 -95.81 -21.96 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -71.35 -51.39 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.645 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.85 -59.42 5.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -74.97 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.3 tp 35.79 89.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -169.6 112.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.588 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 1.3 t80 -64.23 -9.89 20.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -60.13 -18.91 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.0 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -92.56 -17.89 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.681 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.9 mt -69.67 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.437 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -51.14 -22.03 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -74.89 -36.17 62.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.071 . . . . 0.0 109.951 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.55 -41.98 77.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.893 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 36.1 mt -65.67 126.11 91.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.97 47.75 1.82 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.429 1.752 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 22.92 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.72 -7.52 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.487 1.117 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.641 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -44.01 166.1 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.369 0.688 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 -172.23 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.93 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 23.78 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.853 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -57.86 -44.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.75 HG22 HG21 ' A' ' 72' ' ' ILE . 9.2 t -63.83 -39.39 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -27.09 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 80' ' ' VAL . 11.5 mt -77.62 -28.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.608 HG12 ' CE2' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.9 -38.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -52.81 -26.6 14.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.025 HD11 HD21 ' A' ' 34' ' ' LEU . 18.9 mt -75.79 -36.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 30' ' ' ALA . 10.4 mt -76.18 -42.9 44.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -59.79 -47.13 92.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -16.61 32.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -54.06 -17.62 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.614 1.196 . . . . 0.0 109.591 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.608 ' NE2' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -114.64 -41.83 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.549 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.75 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 49.8 t-105 -64.23 -43.14 95.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 25' ' ' LEU . 10.9 tp -52.56 -34.46 50.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.718 ' O ' HD21 ' A' ' 87' ' ' LEU . 14.8 t-20 -64.83 -19.47 65.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.163 ' CE2' HD21 ' A' ' 46' ' ' LEU . 2.6 t80 -103.4 -40.17 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 15.9 tp -61.86 -26.7 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.06 -55.7 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.1 72.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -35.57 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -75.96 -19.37 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -5.68 59.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.913 HD21 HD11 ' A' ' 86' ' ' ILE . 26.8 mt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.44 0.162 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.89 -53.25 22.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -63.97 -10.63 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.163 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -94.75 -56.07 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -20.87 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' CD ' ' HA ' ' A' ' 45' ' ' GLN . 8.5 ptm180 -87.45 -15.72 36.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 72' ' ' ILE . 6.7 t80 -98.87 -34.37 10.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.75 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 7.5 mt -69.52 -53.28 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -55.35 -27.11 45.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -66.69 -51.94 50.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.67 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -61.39 -32.51 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -63.94 -11.94 32.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 ptpt -77.47 -3.47 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 56' ' ' THR . 14.9 t -147.95 94.98 4.24 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 66.69 6.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.859 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.39 -22.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 67' ' ' LEU . 17.9 p-90 -95.59 -20.63 18.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -73.43 -49.93 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.638 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -48.76 -58.96 7.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.638 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.07 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 35.45 89.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.77 111.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.627 ' OH ' ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -63.11 -10.59 15.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.7 p -58.44 -20.65 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -93.63 -18.03 22.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.9 mt -67.58 -61.36 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -78.54 -39.62 37.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.768 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -55.91 -43.79 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.708 HD13 HG22 ' A' ' 81' ' ' VAL . 4.5 mt -37.42 97.95 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.1 Cg_endo -75.04 109.69 2.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.373 1.723 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLY . 4.7 mmmm 68.76 119.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -33.58 117.91 0.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.33 170.32 10.43 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 0.768 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -55.59 172.41 1.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 9.9 mtt85 80.86 1.22 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.438 0.728 . . . . 0.0 110.228 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 81' ' ' VAL . 26.6 t -136.55 -83.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 72' ' ' ILE . 6.3 t -57.71 -39.19 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.55 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -56.43 -21.74 27.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 34' ' ' LEU . 9.0 mt -89.24 -37.12 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.599 HG12 ' CE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -75.61 -33.84 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -54.87 -36.91 65.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.913 HD11 HD21 ' A' ' 34' ' ' LEU . 12.7 mt -64.06 -46.34 94.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.718 HD21 ' O ' ' A' ' 26' ' ' ASN . 26.4 mt -62.88 -42.61 99.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.6 t -65.15 -52.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -68.12 -9.19 44.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 10.3 t-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 23.0 m170 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tmm? 57.27 73.59 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.49 ' C ' ' NE2' ' A' ' 3' ' ' GLN . . . 133.81 -97.97 0.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.568 1.168 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.503 ' HG2' HD12 ' A' ' 12' ' ' ILE . 5.3 mp0 -151.32 71.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.8 mm 62.62 132.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 t60 77.88 -56.28 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.163 . . . . 0.0 109.578 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.86 57.39 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 7' ' ' LEU . 2.0 tt 40.72 47.68 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 0.795 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.458 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -77.93 -54.08 1.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.94 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' C ' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.01 -11.45 21.46 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.487 HG22 ' C ' ' A' ' 9' ' ' PRO . 1.8 t 43.82 68.51 2.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.63 0.85 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.458 1.767 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.699 HG23 ' HD2' ' A' ' 13' ' ' PRO . 63.5 mt -84.43 142.25 40.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 12' ' ' ILE . 18.3 Cg_endo -74.93 56.2 4.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 46.83 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.863 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . -77.95 -55.48 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.863 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 92.31 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.444 1.76 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.22 94.54 8.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.29 84.61 0.15 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.608 HD21 ' HH2' ' A' ' 59' ' ' TRP . 0.4 OUTLIER 41.23 47.36 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 23' ' ' HIS . 0.6 OUTLIER 52.95 171.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 22' ' ' HIS . 1.9 m -81.07 -91.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.566 ' N ' HG22 ' A' ' 21' ' ' THR . 13.8 m80 -43.12 -27.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.48 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 35.1 m170 -69.13 -57.12 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.659 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.7 t-105 -67.49 -43.6 80.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.992 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -52.13 -36.1 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.559 ' O ' HD21 ' A' ' 87' ' ' LEU . 12.0 t-20 -60.98 -23.49 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.847 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -97.18 -32.53 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 7.4 tp -76.54 -33.69 58.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.25 -50.9 71.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -61.13 -43.01 99.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.84 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -75.86 -19.6 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -78.49 -29.54 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 86' ' ' ILE . 60.2 mt -80.26 -135.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -52.22 140.79 32.74 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.427 1.08 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 79.69 2.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.41 88.78 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 107.52 2.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.37 1.721 . . . . 0.0 110.975 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER 67.17 -80.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' SER . 3.7 t0 40.28 -154.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 76.3 m-85 -126.48 33.06 5.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.22 -17.81 38.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -63.49 -11.18 21.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 41' ' ' PHE . 3.9 pt20 -64.22 -52.19 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -62.11 -17.0 56.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.847 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -85.3 -56.01 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.99 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -35.38 75.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CE1' HG12 ' A' ' 72' ' ' ILE . 24.5 t80 -84.46 -37.97 20.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.659 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 9.8 mt -65.76 -49.5 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.29 -30.17 68.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.702 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -64.48 -51.26 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.649 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -62.1 -30.66 71.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -53.52 -29.01 34.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -10.45 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.115 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.7 m -121.61 83.7 41.98 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.41 1.069 . . . . 0.0 110.4 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.82 3.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.115 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -118.4 -21.12 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 28.2 p-90 -96.09 -22.41 17.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -68.69 -53.96 19.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.647 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.45 -59.59 5.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.0 -10.19 21.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.4 tp 36.91 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.91 115.26 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.602 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 3.5 t80 -61.25 -12.6 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.5 p -60.34 -24.75 65.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.022 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -92.24 -18.41 23.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 65' ' ' TYR . 5.6 mt -65.1 -61.07 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.94 -20.92 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -45.41 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.672 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.19 -31.24 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.845 HD13 HG22 ' A' ' 81' ' ' VAL . 12.0 mt -58.54 119.74 38.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.6 Cg_endo -74.93 48.53 2.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.779 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 24.69 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.368 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.72 -3.97 5.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.554 1.158 . . . . 0.0 111.027 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.631 ' HB2' HG23 ' A' ' 72' ' ' ILE . 33.1 t80 -37.2 148.53 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.94 -168.56 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . . . 54.18 176.56 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -99.13 17.94 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.311 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.627 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -59.55 -46.56 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.845 HG22 HD13 ' A' ' 72' ' ' ILE . 34.0 t -63.49 -39.64 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -55.4 -27.09 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.242 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.825 HG12 HD12 ' A' ' 34' ' ' LEU . 6.6 mt -85.93 -39.37 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.228 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.658 HD12 HD11 ' A' ' 72' ' ' ILE . 60.5 mt -70.0 -37.51 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -53.29 -29.39 33.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 34' ' ' LEU . 13.5 mt -70.75 -22.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD21 ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -86.75 -43.31 12.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 91' ' ' GLN . 4.9 t -63.46 -48.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -22.14 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -91.19 18.96 6.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.731 ' O ' HG22 ' A' ' 92' ' ' VAL . 9.9 tt0 -90.3 -62.92 1.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 91' ' ' GLN . 7.3 m 50.27 24.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 t -116.17 93.03 37.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.31 5.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ALA . 79.6 p -90.21 165.26 14.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.066 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' SER . . . -39.52 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 95' ' ' SER . 18.2 Cg_endo -75.0 56.69 4.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.63 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -177.04 111.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.827 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . 168.2 -54.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.174 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.827 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.5 Cg_endo -74.86 55.76 3.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.42 154.73 73.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.213 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 103' ' ' THR . 18.3 Cg_endo -75.01 -28.25 9.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.563 1.822 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.31 -53.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 110.428 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.3 Cg_endo -75.03 141.05 26.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 tp -165.56 -44.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.8 p -172.93 155.26 2.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 108.303 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.14 19.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 108' ' ' THR . 10.0 t -92.91 64.96 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.8 p -107.12 63.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.506 ' N ' ' CD ' ' A' ' 111' ' ' PRO . 0.8 OUTLIER -74.66 -51.4 4.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -74.97 159.34 41.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.405 1.739 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.24 33.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 114' ' ' PRO . 18.5 Cg_endo -74.98 155.03 43.0 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 113' ' ' PRO . 18.2 Cg_endo -74.97 159.3 41.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.558 1.82 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.39 18.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 169.99 21.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 56.53 4.32 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.769 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.05 150.7 4.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.41 ' CG ' ' HG3' ' A' ' 124' ' ' PRO . 26.1 tt0 -79.72 132.53 36.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.16 -57.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 123' ' ' VAL . 1.1 p80 -69.3 131.71 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.566 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 123' ' ' VAL . 7.8 p -39.47 99.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.41 ' HG3' ' CG ' ' A' ' 120' ' ' GLU . 18.5 Cg_endo -74.91 155.28 43.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' O ' ' CE2' ' A' ' 127' ' ' TYR . 18.6 Cg_endo -74.94 155.23 43.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 0.0 111.073 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 18.4 Cg_endo -75.02 -68.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 126' ' ' PRO . 44.3 p90 41.48 -166.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 55.9 t -136.0 -63.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 69.1 160.72 0.15 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.0 10.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.6 m -78.23 -60.05 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.3 m -73.88 130.76 40.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 135' ' ' CYS . 61.2 p -127.52 -44.18 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.456 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 136' ' ' PHE . 3.5 mt-30 67.89 -69.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 133' ' ' THR . 35.3 t 71.3 -64.69 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 108.348 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 134' ' ' GLN . 7.8 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.36 109.85 20.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.39 -86.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 64.68 171.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 110.33 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 7' ' ' LEU . 5.3 tp -159.31 135.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -40.82 -60.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.99 96.56 1.99 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 4' ' ' ILE . 1.7 tt -161.26 147.82 14.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -179.06 78.51 0.21 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.07 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER 167.36 -53.74 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.677 ' O ' HG22 ' A' ' 12' ' ' ILE . 18.2 Cg_endo -74.93 -165.04 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER 87.65 151.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.05 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.791 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 6.0 ptmm? 47.66 -153.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . 70.55 154.55 0.15 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 55.76 4.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.425 1.75 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 175.45 127.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 20' ' ' SER . . . 167.26 76.94 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.785 ' HB3' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -70.27 61.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' GLY . 5.0 m 60.57 121.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -62.71 -65.58 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.363 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' N ' HG22 ' A' ' 21' ' ' THR . 35.3 t60 -41.23 -40.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.607 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.406 ' HB2' ' CB ' ' A' ' 20' ' ' SER . 1.4 m80 -62.54 -48.01 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.718 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 27.7 t-105 -68.26 -43.0 78.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.4 tp -52.76 -35.91 57.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.752 ' ND2' HD13 ' A' ' 87' ' ' LEU . 50.4 t30 -64.16 -18.46 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CZ ' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -101.76 -34.52 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.77 -24.11 60.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.19 -59.56 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.51 63.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -68.85 -40.72 79.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -10.01 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.3 -3.35 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 86' ' ' ILE . 5.5 mt -122.36 -42.93 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.484 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -38.57 -52.68 3.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 35' ' ' GLN . 18.3 Cg_endo -75.03 96.21 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.24 -175.1 46.92 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.4 Cg_endo -75.02 60.44 5.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 3.8 p 164.9 78.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.066 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.475 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -76.36 -176.27 3.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' A' ' 40' ' ' ASP . 1.9 m-85 70.77 55.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.843 ' OD2' HD11 ' A' ' 83' ' ' ILE . 15.6 t70 -109.38 27.78 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.21 -32.45 5.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.66 -52.14 48.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -4.38 25.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -99.4 -39.28 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -67.49 -10.89 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 2.7 ptm85 -83.06 -41.76 18.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 1.085 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 54.0 t80 -66.48 -34.77 78.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.718 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 21.4 mt -69.77 -56.35 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -26.56 35.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.663 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.4 tt -67.34 -54.66 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.03 -30.58 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.2 tp -62.38 -14.0 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -74.22 -3.72 31.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 56' ' ' THR . 14.0 t -149.87 95.59 3.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 67.2 6.02 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.447 1.761 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.849 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.3 -22.26 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.843 ' HB3' HD22 ' A' ' 67' ' ' LEU . 12.8 p-90 -94.62 -20.55 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -69.99 -56.67 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -44.41 -59.36 3.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -74.95 -14.42 21.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.8 tp 38.24 89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.03 115.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.734 ' OH ' HG23 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.27 -11.85 11.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -17.95 63.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.982 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.86 -17.48 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.51 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.2 mt -66.74 -61.74 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.73 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -66.02 -39.55 90.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.32 -15.29 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.085 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 2.1 mt -117.29 80.24 12.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.31 3.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.22 40.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.97 1.49 5.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.556 ' O ' HG21 ' A' ' 81' ' ' VAL . 6.7 t80 -152.34 70.18 7.5 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.447 0.734 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.691 ' HA ' HG21 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.95 171.3 18.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 159.86 -171.04 36.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -57.03 -31.84 65.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.544 0.791 . . . . 0.0 110.24 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 81' ' ' VAL . 1.2 t -70.53 -58.22 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.814 HG22 HD13 ' A' ' 72' ' ' ILE . 7.1 t -56.3 -39.25 59.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.01 -39.6 78.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.929 HG12 HD12 ' A' ' 34' ' ' LEU . 12.0 mt -70.66 -31.3 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.734 HG23 ' OH ' ' A' ' 65' ' ' TYR . 8.9 mt -80.99 -28.25 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.245 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' VAL . 1.1 m120 -63.02 -37.42 87.1 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 34' ' ' LEU . 13.6 mt -60.04 -37.21 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.752 HD13 ' ND2' ' A' ' 26' ' ' ASN . 29.1 mt -63.77 -43.9 95.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.69 -50.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -32.4 63.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -63.31 -17.3 62.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.96 -2.76 55.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.539 ' O ' HG12 ' A' ' 92' ' ' VAL . 58.8 t 63.76 49.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.362 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.46 152.42 72.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ALA . 18.1 Cg_endo -75.05 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.4 m 65.93 -75.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 94' ' ' PRO . . . 56.63 88.16 0.13 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -176.88 3.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.438 1.757 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.14 139.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.18 70.98 0.45 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 160.67 39.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -72.87 -51.84 6.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 17.9 Cg_endo -75.09 91.66 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 p -116.22 86.39 17.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -173.85 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.9 mt 66.37 134.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.5 m 66.51 153.15 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -39.67 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.7 p 44.68 -168.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.6 m 58.28 64.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 p -85.48 160.47 53.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.49 3.8 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.427 1.751 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.53 3.81 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.47 16.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.98 23.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.69 39.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 -178.34 4.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -43.53 151.39 0.47 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 143.87 29.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.0 -51.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 122' ' ' HIS . . . -40.48 -70.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.899 ' O ' HG22 ' A' ' 123' ' ' VAL . 63.1 m80 -161.21 -47.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.545 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 122' ' ' HIS . 3.0 m 55.74 159.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.49 3.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.548 ' CE2' ' HB ' ' A' ' 128' ' ' VAL . 24.2 t80 54.38 167.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.548 ' HB ' ' CE2' ' A' ' 127' ' ' TYR . 10.7 p 41.89 35.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 0.2 OUTLIER -52.19 -53.38 52.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.3 Cg_endo -74.97 -171.05 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.475 1.776 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.3 t -160.92 147.05 14.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.4 m -58.85 102.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.456 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.4 p -41.71 152.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -177.73 69.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.5 t -76.29 150.0 37.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.334 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 48.9 p90 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 111.014 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.7 161.51 37.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.83 61.79 5.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -176.68 158.32 1.68 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.43 0.724 . . . . 0.0 110.353 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.541 ' C ' ' CG ' ' A' ' 5' ' ' HIS . 24.7 mm 67.97 -70.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.541 ' CG ' ' C ' ' A' ' 4' ' ' ILE . 2.0 p-80 50.82 -100.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.94 -83.52 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.09 -177.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 t 62.87 82.8 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 59.58 5.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.583 1.833 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.5 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -74.38 -51.25 4.48 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.1 Cg_endo -75.15 151.67 39.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.8 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -76.13 -47.32 3.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.6 Cg_endo -75.02 117.4 4.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 1.8 pttm -120.8 -171.2 2.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . -40.61 -53.18 5.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 15.2 mtm-85 67.99 74.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.353 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.51 142.44 5.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.07 50.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 0.818 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 23' ' ' HIS . 1.5 m 45.43 94.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.76 -45.25 29.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -60.76 -40.7 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 20' ' ' SER . 12.5 t-80 -61.16 -45.43 94.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.64 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.9 t-105 -70.82 -43.61 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.039 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.5 tp -52.54 -31.08 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.728 ' OD1' HD22 ' A' ' 87' ' ' LEU . 39.7 t30 -68.1 -24.91 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.84 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -94.03 -34.27 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.909 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 18.3 tp -75.13 -13.93 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' TYR . 23.7 mt-30 -82.76 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' C ' HG23 ' A' ' 83' ' ' ILE . . . -51.39 -32.45 26.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -70.05 -31.63 69.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.562 1.164 . . . . 0.0 109.367 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -80.99 -18.51 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -7.84 59.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 86' ' ' ILE . 72.2 mt -96.16 -45.94 6.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 88.2 151.63 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.51 38.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.78 -85.06 0.21 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -172.89 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.535 1.808 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -60.83 -34.55 74.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.2 140.34 7.45 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.4 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 2.5 m-85 -78.84 2.33 20.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 54.54 20.02 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -114.86 -13.84 11.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -55.36 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -18.28 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.84 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.33 -57.57 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.2 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -50.66 9.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.5 t80 -61.32 -38.72 87.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.64 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 12.1 mt -65.59 -53.19 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -26.52 62.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.722 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -70.3 -54.51 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -60.99 -30.81 70.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -53.28 -30.41 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -8.29 45.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.111 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.5 m -123.87 83.56 54.81 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 53.58 3.39 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.564 1.823 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.111 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.6 -21.28 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.873 ' HB3' HD22 ' A' ' 67' ' ' LEU . 25.3 p-90 -96.28 -23.43 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -67.73 -54.53 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.663 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -47.23 -60.37 4.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -74.98 -10.25 21.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 36.98 88.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -157.1 117.68 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.498 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -64.51 -9.83 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -33.42 76.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.033 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -83.92 -17.59 40.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.6 mt -65.73 -61.44 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.83 -19.48 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -73.6 -45.46 52.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.5 -34.38 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.749 HG23 ' HB2' ' A' ' 76' ' ' TYR . 18.7 mt -52.7 118.4 13.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -75.04 48.56 2.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 73' ' ' PRO . 7.0 tptp 27.3 89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.76 -2.02 5.6 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.749 ' HB2' HG23 ' A' ' 72' ' ' ILE . 44.1 t80 -35.93 148.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.596 0.821 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.544 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.9 -173.8 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 21.7 13.5 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -58.6 -42.83 85.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.612 HG22 HD13 ' A' ' 72' ' ' ILE . 16.7 t -69.41 -39.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -57.53 -30.23 65.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.741 HG12 HD12 ' A' ' 34' ' ' LEU . 6.8 mt -82.52 -52.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.71 HD12 HD11 ' A' ' 72' ' ' ILE . 62.3 mt -61.95 -28.91 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.509 ' O ' ' ND2' ' A' ' 85' ' ' ASN . 1.1 t-20 -59.89 -33.97 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 34' ' ' LEU . 7.4 mt -63.96 -34.19 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.728 HD22 ' OD1' ' A' ' 26' ' ' ASN . 20.0 mt -72.4 -43.52 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.0 t -70.25 -49.32 55.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -20.75 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 22.1 t-20 -80.22 -67.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.731 ' O ' HG12 ' A' ' 92' ' ' VAL . 1.0 OUTLIER 160.65 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 91' ' ' GLN . 8.5 p 50.33 24.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' VAL . 8.6 p -39.22 149.17 0.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.398 1.061 . . . . 0.0 109.924 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.49 3.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.4 m -97.38 70.75 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -173.34 89.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.27 27.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.37 174.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.671 ' HB3' ' HG3' ' A' ' 102' ' ' PRO . . . 62.88 156.56 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 101' ' ' VAL . 7.2 p -148.79 77.96 9.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.671 ' HG3' ' HB3' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -74.93 55.74 4.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.431 1.753 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.9 m -151.29 80.78 6.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 175.76 10.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.809 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.1 mm -135.71 135.96 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.2 p -102.79 151.23 38.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.254 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.8 m -162.12 -55.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.493 ' O ' ' C ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -40.05 -41.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 110' ' ' THR . 11.8 t 31.35 63.12 1.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.367 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.454 ' HD3' HG23 ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.91 154.99 43.36 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 111' ' ' PRO . 18.7 Cg_endo -75.01 113.59 3.83 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.526 1.803 . . . . 0.0 111.071 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 155.06 42.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 163.04 36.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.93 25.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.12 129.75 12.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -92.32 154.52 42.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.957 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -177.83 3.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 1.3 pm0 -171.08 56.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 120' ' ' GLU . . . 72.78 -60.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -114.99 113.28 23.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.81 HG22 ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -127.62 145.89 56.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.81 ' HD2' HG22 ' A' ' 123' ' ' VAL . 18.4 Cg_endo -74.95 113.48 3.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.415 1.744 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 163.09 36.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.21 30.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -145.54 77.03 1.5 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 129' ' ' GLU . 9.8 p -140.75 172.44 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.568 ' H ' HG22 ' A' ' 128' ' ' VAL . 0.1 OUTLIER 166.45 -55.27 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.2 Cg_endo -75.0 165.68 30.8 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.546 1.814 . . . . 0.0 110.959 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.6 m 64.01 -76.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 130' ' ' PRO . 40.8 p -94.76 90.94 6.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 134' ' ' GLN . 81.5 p -78.34 166.59 22.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 133' ' ' THR . 9.7 pt20 47.22 -172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.89 165.51 10.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt -160.15 82.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.3 41.03 6.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.578 1.174 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.93 39.99 0.41 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.536 0.786 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 6' ' ' GLY . 12.8 tt -139.37 169.02 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 t60 67.81 -70.52 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.56 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' ILE . . . -80.62 63.93 4.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 111.021 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.777 HD22 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -86.13 -17.36 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' LEU . 64.0 p -38.73 99.28 0.19 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.607 ' HD3' HD22 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.98 135.5 19.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.511 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -57.05 -51.28 82.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 95.69 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.6 mm -148.49 136.53 11.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 12' ' ' ILE . 18.6 Cg_endo -74.89 171.86 17.45 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.573 1.828 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -57.28 -64.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.92 91.98 48.8 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' NH1' HD12 ' A' ' 19' ' ' LEU . 2.6 ttt85 -170.02 143.0 2.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -155.68 23.41 0.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.524 HD12 ' NH1' ' A' ' 17' ' ' ARG . 21.1 mt -80.94 76.54 7.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.48 121.48 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.937 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.5 -34.92 62.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -59.34 -49.33 78.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' C ' ' ND1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -59.85 -43.21 94.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.573 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.451 ' CZ3' HD22 ' A' ' 46' ' ' LEU . 26.6 t-105 -67.18 -44.22 80.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.16 -34.86 46.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.655 ' O ' HD21 ' A' ' 87' ' ' LEU . 63.4 t30 -64.99 -20.01 66.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.201 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.81 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -97.61 -34.88 10.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 14.0 tp -73.99 -26.58 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.58 -55.57 12.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.498 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -56.37 -42.37 77.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.604 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -60.05 -36.5 77.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -76.37 -16.29 59.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -83.92 -17.61 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.037 HD21 HD11 ' A' ' 86' ' ' ILE . 27.0 mt -93.02 -158.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -35.45 96.67 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' LEU . 18.2 Cg_endo -74.97 131.37 14.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.24 -172.02 32.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -39.3 -40.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 109.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 45.79 -163.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 109.28 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.19 45.79 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -92.67 8.63 38.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -93.61 -17.9 22.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.437 1.086 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.458 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 1.7 pp0? -62.92 -48.53 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.458 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 13.8 pm0 -67.43 -24.54 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.81 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -78.55 -54.9 5.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -52.67 -20.17 2.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -35.11 41.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.8 t80 -83.37 -33.63 25.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 6.9 mt -69.24 -51.84 33.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -26.85 46.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.73 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -68.19 -53.2 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -61.13 -31.71 71.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -53.07 -32.21 45.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -9.98 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.102 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.7 m -121.44 82.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.4 3.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.102 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.88 -21.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.857 ' HB3' HD22 ' A' ' 67' ' ' LEU . 25.7 p-90 -95.88 -23.25 16.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.582 1.176 . . . . 0.0 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -68.18 -54.3 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.15 -60.17 4.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.6 Cg_endo -74.94 -9.88 21.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.0 tp 36.62 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -160.47 115.62 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.7 t80 -62.28 -12.09 18.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 t -62.04 -24.42 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.007 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -91.93 -18.34 23.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.1 mt -64.8 -61.07 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.34 -20.2 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -74.35 -43.08 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.639 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.76 -40.87 69.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.662 HD13 HG22 ' A' ' 81' ' ' VAL . 14.1 mt -49.52 105.65 0.53 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.93 108.01 2.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.423 1.749 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.6 tttm 38.38 62.18 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.23 155.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.723 ' H ' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.86 170.97 8.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.541 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.6 Cg_endo -74.92 -167.8 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.95 -169.91 0.11 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.28 17.86 21.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.236 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.654 HG22 ' HG ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -61.52 -48.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.723 HG21 ' H ' ' A' ' 76' ' ' TYR . 38.3 t -66.53 -38.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.9 -33.65 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.84 HG12 HD12 ' A' ' 34' ' ' LEU . 7.1 mt -77.65 -19.13 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.632 HD12 HD11 ' A' ' 72' ' ' ILE . 71.1 mt -89.21 -37.2 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -54.01 -29.33 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.037 HD11 HD21 ' A' ' 34' ' ' LEU . 13.1 mt -68.96 -30.58 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.655 HD21 ' O ' ' A' ' 26' ' ' ASN . 19.3 mt -74.95 -43.86 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -64.28 -50.55 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -55.21 -24.78 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -71.25 -31.15 67.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.729 ' O ' HG12 ' A' ' 92' ' ' VAL . 1.9 mm-40 -73.24 -59.16 2.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 91' ' ' GLN . 8.3 p 50.47 24.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.82 150.29 14.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 139.02 23.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.391 1.732 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.9 m 62.75 174.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.85 92.06 47.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 18.3 Cg_endo -75.01 106.2 2.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 97' ' ' PRO . . . 68.38 176.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 98' ' ' ALA . . . 67.75 91.92 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.03 167.91 25.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 101' ' ' VAL . 19.6 m 32.31 87.27 0.11 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' THR . 18.2 Cg_endo -74.95 -62.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.36 -53.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.1 Cg_endo -75.05 140.37 25.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.1 mp -128.51 -62.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.468 ' CB ' ' HD3' ' A' ' 107' ' ' PRO . 0.1 OUTLIER 171.18 -56.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 106' ' ' CYS . 18.4 Cg_endo -74.95 121.67 6.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -149.56 148.57 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.7 t -161.78 143.31 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.5 m -160.89 80.3 2.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 157.67 42.32 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.05 39.46 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 160.52 40.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.55 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.554 1.818 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 178.67 6.96 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 p -41.22 157.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 61.24 5.66 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 0.9 OUTLIER -108.56 168.68 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 120' ' ' GLU . . . 69.88 -65.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER 69.1 -65.27 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 123' ' ' VAL . 35.4 m -149.08 85.36 5.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.19 43.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 113.49 3.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.544 1.812 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 94.41 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.598 ' CD1' HG13 ' A' ' 128' ' ' VAL . 44.7 p90 -103.16 18.04 22.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 127' ' ' TYR . 34.6 m -132.74 129.9 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -149.72 135.68 10.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.87 2.82 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.3 p 38.71 85.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.4 m -149.46 -60.22 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 11.1 t -165.46 125.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.468 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -159.82 70.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.195 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.58 70.17 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.36 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.57 145.39 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.68 59.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -139.43 103.21 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -134.4 56.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -145.94 146.73 31.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.497 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.2 -71.46 0.42 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.54 42.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.475 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -66.17 -53.39 32.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.019 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.1 Cg_endo -75.02 157.47 42.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.552 1.817 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.567 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -77.35 -47.46 2.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.1 Cg_endo -74.98 -85.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.564 1.823 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -167.37 147.35 4.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.4 Cg_endo -74.94 178.7 6.89 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.5 pttm 40.29 65.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.74 153.71 15.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -75.01 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER 83.49 113.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.07 -154.13 42.58 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 19' ' ' LEU . 2.5 tt -147.42 59.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 0.72 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.0 p 53.11 85.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -38.33 82.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -60.76 -49.32 77.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -58.54 -41.38 85.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.558 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 32.7 t-105 -70.56 -43.94 68.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 25' ' ' LEU . 4.9 tp -52.79 -29.59 28.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.658 ' O ' HD21 ' A' ' 87' ' ' LEU . 50.2 t30 -67.73 -24.4 65.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.371 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 46' ' ' LEU . 1.4 t80 -95.46 -36.88 11.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 12.0 tp -69.17 -25.53 64.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -69.62 -57.81 4.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.516 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . . . -56.69 -36.88 70.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -64.56 -36.51 84.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.171 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -74.19 -16.25 60.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.943 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -10.99 51.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.069 HD21 HD11 ' A' ' 86' ' ' ILE . 25.0 mt -98.99 -79.15 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER 161.86 169.04 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' GLY . 18.2 Cg_endo -75.03 55.43 3.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . 37.46 -156.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 t -111.9 154.81 24.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.01 165.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.25 38.29 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -64.23 -14.21 54.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -73.31 -2.36 21.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.73 -56.72 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' HG3' ' NH1' ' A' ' 79' ' ' ARG . 1.6 mm-40 -59.47 -18.2 37.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.82 -56.47 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -53.73 -21.19 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -72.92 -36.71 67.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CZ ' HG13 ' A' ' 72' ' ' ILE . 27.9 t80 -83.84 -34.44 24.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD11 HD22 ' A' ' 46' ' ' LEU . 7.7 mt -69.87 -56.36 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -28.89 54.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.611 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -65.28 -52.19 55.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.671 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -56.86 -32.34 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.0 tp -62.38 -13.86 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -74.87 -3.22 30.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 56' ' ' THR . 13.6 t -151.15 96.36 3.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 67.73 5.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.758 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -118.62 -21.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.1 p-90 -96.23 -20.49 18.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.54 -56.59 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -44.85 -59.18 4.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.04 -14.26 21.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 63' ' ' ILE . 4.2 tp 39.15 91.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -166.3 113.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.84 -14.03 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.5 p -59.57 -23.91 63.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.966 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.004 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -91.22 -17.86 25.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.474 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.6 mt -68.11 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -20.96 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 t -76.01 -37.85 57.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.62 -42.01 78.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.899 HD13 HG22 ' A' ' 81' ' ' VAL . 62.1 mt -51.28 123.74 21.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.494 1.787 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 20.38 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.228 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.04 -10.64 2.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -45.68 160.19 0.28 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 0.718 . . . . 0.0 111.029 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -61.74 177.35 5.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.631 ' C ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER 83.11 -5.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 81' ' ' VAL . 23.1 t -131.46 -82.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.899 HG22 HD13 ' A' ' 72' ' ' ILE . 5.8 t -57.19 -38.97 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.28 -17.66 8.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.777 HG12 HD12 ' A' ' 34' ' ' LEU . 5.2 mt -102.12 -37.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.729 HD11 ' HE2' ' A' ' 27' ' ' PHE . 4.0 mt -70.9 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 44.4 p-10 -52.92 -23.63 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.069 HD11 HD21 ' A' ' 34' ' ' LEU . 25.9 mt -77.84 -33.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 26' ' ' ASN . 25.5 mt -69.26 -42.72 75.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.54 -50.08 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -55.39 -30.38 60.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.531 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 51.6 t-20 -68.47 -34.11 75.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.531 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 6.9 pt20 50.04 25.25 1.62 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.96 -25.13 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.74 156.64 0.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.47 22.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 m 70.43 -60.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 62.26 92.01 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.84 4.05 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.14 106.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.17 156.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 57.79 4.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.516 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -60.56 -51.67 78.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -74.97 142.54 28.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.503 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.8 OUTLIER -76.6 -51.27 2.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.4 Cg_endo -74.92 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.576 1.829 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.45 HD12 ' HB2' ' A' ' 102' ' ' PRO . 9.2 mt 70.47 -68.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.237 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 30.0 p -66.5 150.45 97.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -83.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 108' ' ' THR . 7.6 t -133.4 52.07 2.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 110' ' ' THR . 2.9 m 60.78 144.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 110' ' ' THR . 10.0 t 32.83 89.32 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.438 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 156.19 43.04 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 162.66 36.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.58 42.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.777 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.51 42.95 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 18.5 Cg_endo -75.0 155.53 42.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.811 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 115' ' ' PRO . 18.4 Cg_endo -74.95 159.45 41.49 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.759 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.11 5.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.0 OUTLIER 168.41 -54.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.1 Cg_endo -75.15 55.92 4.17 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' CD ' ' C ' ' A' ' 119' ' ' PRO . 2.0 pm0 42.31 -164.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.501 ' O ' ' CD2' ' A' ' 122' ' ' HIS . . . -105.01 -50.34 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 121' ' ' ALA . 22.5 p80 47.31 59.19 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.617 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.68 HG13 ' HD2' ' A' ' 124' ' ' PRO . 77.9 t -109.3 142.87 26.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.68 ' HD2' HG13 ' A' ' 123' ' ' VAL . 18.3 Cg_endo -74.96 173.25 14.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 130' ' ' PRO . 18.3 Cg_endo -75.03 157.51 42.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -42.31 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -127.6 -148.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.621 HG12 ' N ' ' A' ' 129' ' ' GLU . 73.9 t 64.25 -102.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.621 ' N ' HG12 ' A' ' 128' ' ' VAL . 5.1 mm-40 -152.31 84.9 4.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 18.5 Cg_endo -74.93 -18.52 18.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.1 m -67.28 -91.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.347 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.438 HG22 ' OE1' ' A' ' 129' ' ' GLU . 15.0 t -69.18 174.98 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 135' ' ' CYS . 33.3 p 46.01 -171.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.41 -60.6 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 133' ' ' THR . 0.1 OUTLIER -117.23 -62.74 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 108.327 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 44.0 p90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 48.2 m80 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm -179.62 -55.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.74 -87.76 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 57.72 95.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.2 mt -137.95 107.17 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -170.01 68.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.31 -66.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD22 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -41.67 157.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.523 ' CB ' HD22 ' A' ' 7' ' ' LEU . 63.3 m 51.72 88.98 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.08 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -74.94 58.77 4.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 9' ' ' PRO . 91.7 m -36.82 97.73 0.14 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' ILE . 18.3 Cg_endo -75.01 -161.64 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.811 . . . . 0.0 110.991 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.488 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -38.99 -52.96 3.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.02 146.35 32.48 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.448 1.762 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.622 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -140.31 -47.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.834 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 167.24 -54.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.625 1.203 . . . . 0.0 109.216 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.834 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.98 58.03 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.19 157.42 34.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.197 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.14 -105.06 0.26 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.731 HD13 ' HZ3' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -122.16 60.39 0.99 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 0.801 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.454 ' OG ' ' CG ' ' A' ' 23' ' ' HIS . 53.1 p 59.2 115.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.157 . . . . 0.0 109.948 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -31.88 64.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 110.451 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -51.15 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.454 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 61.0 m170 -59.11 -41.81 89.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 45.0 t-105 -67.8 -43.68 79.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 25' ' ' LEU . 5.1 tp -52.96 -30.83 37.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.708 ' O ' HD21 ' A' ' 87' ' ' LEU . 11.3 t-20 -67.93 -19.14 64.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.848 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -97.44 -33.44 11.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.6 tp -77.27 -26.9 52.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.49 -56.36 7.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB2' HD21 ' A' ' 87' ' ' LEU . . . -54.49 -36.79 64.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -70.34 -26.98 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.96 -17.77 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -25.32 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.848 HD21 HD11 ' A' ' 86' ' ' ILE . 26.9 mt -58.8 -48.74 80.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 80.42 99.18 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 18.3 Cg_endo -75.0 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.84 -86.2 0.66 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.406 1.066 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.07 17.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.21 179.48 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.627 ' H ' ' NH2' ' A' ' 79' ' ' ARG . 5.3 p-10 -115.85 -159.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 19.3 m-85 -121.35 -45.49 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 41' ' ' PHE . 4.0 t0 84.3 71.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -56.42 -18.09 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -52.66 56.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -61.69 -12.4 16.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.848 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -90.89 -54.93 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -56.92 -24.87 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 8.2 ptm180 -84.49 -42.29 15.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 34.2 t80 -60.53 -39.01 86.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 12.7 mt -70.15 -54.46 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.02 60.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.576 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.8 tt -67.12 -53.98 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.656 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.92 -31.77 63.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.0 tp -62.54 -13.66 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.14 -4.51 33.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 56' ' ' THR . 13.5 t -150.2 96.45 3.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 67.99 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.427 1.751 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.853 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.41 -22.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.824 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.0 p-90 -94.7 -23.14 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.01 -55.28 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.65 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.92 -59.93 3.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.04 -11.02 21.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.514 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.7 tp 37.83 89.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.56 115.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.605 ' CD2' HD12 ' A' ' 68' ' ' LEU . 9.6 t80 -61.74 -11.8 13.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -60.67 -22.56 64.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.4 tt -92.07 -17.19 25.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD12 ' CD2' ' A' ' 65' ' ' TYR . 4.9 mt -69.94 -62.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.15 -21.48 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -71.08 -38.59 72.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.559 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.33 -41.82 85.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.839 HD11 HD12 ' A' ' 84' ' ' ILE . 6.4 mt -54.74 112.24 3.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.96 48.2 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.8 OUTLIER 29.43 89.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.197 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.46 -3.24 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.783 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -37.53 154.75 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.59 -172.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.627 ' NH2' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -100.64 20.0 15.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -57.01 -42.89 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.562 HG22 HD13 ' A' ' 72' ' ' ILE . 8.6 t -74.85 -38.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -58.55 -15.39 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.773 HG21 ' HB2' ' A' ' 31' ' ' ALA . 4.4 mt -101.73 -45.73 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.438 1.087 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.839 HD12 HD11 ' A' ' 72' ' ' ILE . 86.0 mt -67.27 -34.23 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 28.4 p-10 -55.85 -25.65 43.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.848 HD11 HD21 ' A' ' 34' ' ' LEU . 13.5 mt -73.47 -30.52 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.708 HD21 ' O ' ' A' ' 26' ' ' ASN . 18.8 mt -74.12 -44.32 54.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.64 -49.87 80.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -14.83 62.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -63.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 177.89 56.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 92' ' ' VAL . 29.2 t -144.79 50.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.388 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -120.74 78.1 29.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 57.72 4.7 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 56.7 p -165.09 141.22 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.48 156.25 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -164.78 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.19 -173.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . 61.65 161.57 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 18.2 Cg_endo -75.05 173.7 14.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 101' ' ' VAL . 5.3 p -167.57 67.11 0.83 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 135.57 19.43 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.766 HG22 ' HD2' ' A' ' 104' ' ' PRO . 1.7 m -80.81 147.0 61.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.766 ' HD2' HG22 ' A' ' 103' ' ' THR . 18.4 Cg_endo -74.98 -37.84 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 mm -73.68 -62.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.6 t -71.52 118.49 66.77 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.281 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 m -150.51 -75.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.434 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 72.8 p 38.89 59.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.575 ' N ' ' CD ' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -65.22 -47.34 71.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.04 156.35 42.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.771 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.53 3.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 157.04 42.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 0.0 110.943 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 157.24 42.92 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.561 1.822 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.35 43.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -54.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.77 151.15 0.11 Allowed Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -58.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 39.23 62.09 1.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.43 178.03 7.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.409 ' C ' HG22 ' A' ' 123' ' ' VAL . 0.3 OUTLIER 67.49 174.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.654 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.42 ' N ' ' HD3' ' A' ' 124' ' ' PRO . 18.8 m 40.51 64.48 4.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 123' ' ' VAL . 18.3 Cg_endo -75.0 159.31 41.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.52 3.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.56 19.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.587 1.835 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -167.29 167.53 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.555 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 66.6 t -129.23 79.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.555 ' CG ' ' O ' ' A' ' 128' ' ' VAL . 2.0 pt-20 54.63 158.98 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 58.72 4.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.55 1.816 . . . . 0.0 111.013 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.736 HG23 ' N ' ' A' ' 132' ' ' THR . 1.1 t 40.8 -161.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.736 ' N ' HG23 ' A' ' 131' ' ' THR . 14.7 t -55.69 127.79 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.2 t -66.17 151.17 47.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 67.22 130.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.8 m -79.32 66.56 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.285 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 2' ' ' GLY . 15.7 p-80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt 66.76 -68.76 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 0' ' ' HIS . . . 125.27 80.03 0.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -142.41 58.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 110.277 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.5 pt 44.73 -167.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -146.51 113.83 6.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.11 -131.07 3.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 tp 63.83 146.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.78 88.45 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 79.2 2.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.721 ' OG1' HD13 ' A' ' 12' ' ' ILE . 2.8 p -137.84 158.35 71.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.44 4.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.721 HD13 ' OG1' ' A' ' 10' ' ' THR . 1.3 mp -73.98 -51.9 4.71 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.3 Cg_endo -75.01 58.64 4.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 4.4 ptpt -39.86 -47.11 2.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.859 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 165.27 -55.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.859 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.78 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HG3' ' HA ' ' A' ' 13' ' ' PRO . 0.8 OUTLIER 54.66 74.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -68.04 -84.01 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.064 HD23 HD11 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -52.94 91.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLY . 5.5 t -129.64 -81.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.987 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -170.15 -40.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.83 -13.26 31.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' CG ' HD11 ' A' ' 63' ' ' ILE . 49.3 m80 -102.68 -38.83 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.834 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 24.2 t-105 -72.79 -43.72 62.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.054 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 9.3 tp -53.27 -29.24 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.894 ' OD1' HD13 ' A' ' 87' ' ' LEU . 18.3 t-20 -67.91 -20.98 65.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.17 ' CE1' HD21 ' A' ' 46' ' ' LEU . 1.5 t80 -100.77 -35.91 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 12.3 tp -69.26 -30.82 69.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.84 -48.64 79.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -63.31 -45.2 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.703 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -19.57 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -79.79 -22.37 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.818 HD21 HD11 ' A' ' 86' ' ' ILE . 8.9 mt -83.75 -159.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER 161.2 -51.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.255 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -74.97 92.73 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.01 -158.9 14.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.3 Cg_endo -75.04 132.15 15.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER 159.36 -50.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 41' ' ' PHE . 6.5 t70 -101.29 141.45 34.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER 73.14 19.76 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -125.46 -84.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER 66.36 0.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' A' ' 42' ' ' ASP . 11.7 tt0 -85.88 -59.11 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -16.94 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.17 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -82.21 -54.7 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.11 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.224 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -69.9 -48.79 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 32.7 t80 -66.49 -36.74 83.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.834 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 16.6 mt -70.39 -58.81 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -26.09 38.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -69.45 -55.47 10.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.64 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -56.09 -31.3 63.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.6 tp -62.79 -13.94 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.39 -7.06 40.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 56' ' ' THR . 12.4 t -150.55 97.51 3.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 68.64 5.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.868 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -118.99 -21.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.842 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.1 p-90 -95.25 -22.23 17.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.064 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.24 -56.33 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.81 -59.92 3.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -74.94 -13.19 21.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.379 1.726 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.524 HD11 ' CG ' ' A' ' 23' ' ' HIS . 2.6 tp 38.24 88.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -160.01 116.89 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.614 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 7.1 t80 -62.38 -11.47 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -25.18 68.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.988 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -90.77 -18.65 24.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.525 ' HA ' HD23 ' A' ' 68' ' ' LEU . 4.8 mt -67.67 -61.79 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.61 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -73.54 -25.72 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -74.18 -0.98 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.847 HG21 HG22 ' A' ' 81' ' ' VAL . 10.3 mt -117.21 79.3 11.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.444 ' HD2' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 99.35 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER 77.0 151.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.84 116.94 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -93.77 -178.27 0.81 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.98 179.73 5.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.829 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.36 -170.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.501 ' CZ ' ' O ' ' A' ' 36' ' ' PRO . 10.6 mtt180 -101.61 20.83 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.602 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -58.17 -44.89 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.847 HG22 HG21 ' A' ' 72' ' ' ILE . 54.9 t -66.94 -39.47 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 79' ' ' ARG . 1.4 mt-10 -54.95 -29.14 55.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.703 HG23 ' N ' ' A' ' 31' ' ' ALA . 9.7 mt -80.79 -17.96 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.607 HD12 HD12 ' A' ' 72' ' ' ILE . 28.3 mt -96.72 -37.75 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -55.35 -28.66 55.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.818 HD11 HD21 ' A' ' 34' ' ' LEU . 12.1 mt -67.55 -38.07 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.894 HD13 ' OD1' ' A' ' 26' ' ' ASN . 30.4 mt -66.39 -42.98 87.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 92' ' ' VAL . 5.6 t -67.74 -48.64 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -3.11 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.49 ' ND2' ' NE2' ' A' ' 91' ' ' GLN . 48.2 t30 -57.47 -39.74 77.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.49 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 167.46 73.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.665 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 30.3 m -120.79 -42.3 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.484 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -39.75 -52.84 4.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 93' ' ' SER . 18.2 Cg_endo -75.0 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.1 p -140.49 135.87 32.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.665 ' HB2' ' HA ' ' A' ' 92' ' ' VAL . . . -131.04 85.87 53.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -80.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -174.86 82.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.825 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . -44.3 -53.86 13.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.231 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.825 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.4 Cg_endo -74.97 134.3 17.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.408 1.741 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.56 155.63 81.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.51 1.795 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -38.85 154.55 0.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 106' ' ' CYS . 18.3 Cg_endo -75.11 56.17 4.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.586 1.835 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.4 mm 67.38 -73.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' PRO . 17.8 m -124.11 160.6 51.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 178.3 7.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -156.77 -61.08 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.8 t -39.97 138.5 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.401 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 1.8 t 38.84 64.51 3.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.02 160.93 39.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 161.01 39.62 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 157.73 42.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.0 42.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 173.85 13.76 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.421 1.748 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 m -170.51 152.55 3.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -179.21 4.78 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.456 1.766 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 2.9 mp0 -45.12 -59.29 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 120' ' ' GLU . . . 69.74 -65.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.238 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 120' ' ' GLU . 8.2 t60 70.27 -61.38 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.521 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.417 HG12 ' C ' ' A' ' 122' ' ' HIS . 3.6 p 40.9 74.5 0.72 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 111.051 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.72 30.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 83.08 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -150.05 -45.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.4 m -116.4 53.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -177.02 75.14 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 131' ' ' THR . 18.0 Cg_endo -75.03 55.92 4.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.598 HG23 ' H ' ' A' ' 132' ' ' THR . 0.0 OUTLIER 29.25 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.598 ' H ' HG23 ' A' ' 131' ' ' THR . 3.2 m -106.45 -65.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.2 t -137.88 145.27 41.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -175.32 -51.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.314 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 8.4 t 73.69 163.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.34 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.2 ttp -178.54 -56.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 37.85 74.72 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.803 ' C ' HD13 ' A' ' 4' ' ' ILE . 28.9 mm-40 -63.52 89.65 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.803 HD13 ' C ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 40.48 -158.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -47.15 106.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.1 66.04 0.39 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.29 122.48 9.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 0.765 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.74 158.19 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 88.81 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.501 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -75.86 -51.29 2.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 110.429 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.0 106.3 2.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -75.02 -51.92 3.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.1 -57.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.422 1.748 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.49 -63.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.49 76.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.0 -41.12 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.76 90.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -106.75 57.27 0.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD11 ' HH2' ' A' ' 59' ' ' TRP . 4.4 mt -152.88 92.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.187 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -136.44 -95.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.013 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.594 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 4.2 m -132.52 164.68 26.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.618 1.198 . . . . 0.0 110.443 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 88.11 -15.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.569 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -119.62 -51.8 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.596 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.965 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 30.4 t-105 -69.76 -43.2 72.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.179 . . . . 0.0 107.998 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.4 tp -52.36 -35.41 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 87' ' ' LEU . 18.4 t-20 -62.34 -25.81 68.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.651 ' CZ ' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -94.79 -34.28 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 21.8 tp -78.25 -24.3 46.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' LEU . 40.8 mt-30 -70.62 -59.28 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -55.18 -44.4 75.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.06 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -83.67 -18.03 39.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.47 -18.85 28.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.731 HD21 HD13 ' A' ' 86' ' ' ILE . 4.0 mt -70.62 -133.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.56 102.42 0.25 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 85.86 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.46 1.768 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.67 -166.62 39.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.96 86.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 41' ' ' PHE . 4.4 m-20 -77.79 -171.67 2.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 5.5 t80 71.05 53.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -139.94 15.3 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -114.18 -24.99 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -41.96 85.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.84 61.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.897 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -82.74 -56.16 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -52.99 -19.76 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -82.2 -37.05 26.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 32.0 t80 -72.92 -41.51 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.965 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 15.3 mt -68.28 -53.87 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -55.5 -24.75 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.762 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.4 tt -72.0 -59.31 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -53.73 -29.6 40.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -64.26 -11.75 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.85 -0.71 25.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.429 1.08 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 56' ' ' THR . 14.2 t -152.83 95.76 3.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 67.81 5.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.503 1.791 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.861 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.8 -22.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.812 ' HB3' HD22 ' A' ' 67' ' ' LEU . 12.4 p-90 -94.98 -21.71 18.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -70.54 -54.14 13.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.65 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -46.02 -59.49 4.71 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -10.67 21.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.7 tp 37.23 89.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.08 114.47 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.606 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -59.07 -15.16 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -23.78 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.974 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -93.36 -19.13 21.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -69.46 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 -20.52 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -39.69 72.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.02 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.71 -41.29 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.812 HD11 HD12 ' A' ' 84' ' ' ILE . 4.7 mt -55.03 116.21 10.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.95 47.0 1.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 29.02 89.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 131.94 -2.47 5.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.756 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -36.79 155.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 111.041 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.07 -168.95 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.762 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.74 -174.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.34 20.61 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.594 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.0 OUTLIER -59.49 -45.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.615 HG22 HD13 ' A' ' 72' ' ' ILE . 10.1 t -68.25 -39.49 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.89 -23.83 33.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 110.236 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 80' ' ' VAL . 3.9 mt -92.08 -49.22 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 72' ' ' ILE . 72.0 mt -59.85 -43.74 92.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -51.68 -36.85 48.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.208 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.731 HD13 HD21 ' A' ' 34' ' ' LEU . 11.8 mt -67.16 -24.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 26' ' ' ASN . 34.8 mt -74.53 -45.56 44.9 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.416 1.072 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 7.6 t -63.72 -49.92 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -19.71 10.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.63 26.54 7.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -98.8 -28.83 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 110.286 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 78.5 t -70.79 -58.29 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.3 t 60.0 93.57 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 55.74 3.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p 60.9 145.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 58.38 160.05 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -25.32 11.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -122.66 146.89 47.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -171.56 71.99 0.49 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.842 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.4 OUTLIER -172.95 145.9 1.35 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.842 ' HD2' HG22 ' A' ' 101' ' ' VAL . 17.9 Cg_endo -75.0 125.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 48.2 m -118.72 79.94 16.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.359 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 115.14 4.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.626 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -107.13 173.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 34.8 m 62.24 150.53 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.28 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -33.72 4.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 108' ' ' THR . 4.6 t -174.57 77.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.436 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.2 m -152.55 106.32 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.2 m 59.84 86.12 0.16 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.377 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 18.4 Cg_endo -75.04 155.67 42.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.2 Cg_endo -74.95 155.16 43.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 113.47 3.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 120' ' ' GLU . 18.5 Cg_endo -74.97 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.661 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 17.8 Cg_endo -75.09 -82.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.535 1.808 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.3 OUTLIER -50.25 -51.86 59.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.4 Cg_endo -75.08 139.57 24.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 120' ' ' GLU . 0.9 OUTLIER 32.95 40.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 117' ' ' PRO . . . -40.01 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 12.5 p80 -136.93 101.8 4.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.641 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' HIS . 11.3 m -39.43 99.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 122' ' ' HIS . 18.5 Cg_endo -74.98 155.53 43.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.31 31.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.432 1.754 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -175.06 166.96 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 128' ' ' VAL . 7.8 p -40.56 113.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 0.1 OUTLIER -78.82 -54.67 1.06 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.212 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.3 Cg_endo -74.9 -172.01 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 111.057 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.75 HG23 ' N ' ' A' ' 132' ' ' THR . 1.1 t 40.73 -161.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.75 ' N ' HG23 ' A' ' 131' ' ' THR . 1.7 m 60.16 148.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 135' ' ' CYS . 1.4 t -58.37 -34.67 70.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.736 ' H ' HG22 ' A' ' 132' ' ' THR . 14.7 mm100 65.87 -73.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 133' ' ' THR . 1.6 p -121.51 -55.43 1.93 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 108.312 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 1' ' ' MET . 8.0 p80 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.484 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 17.4 ptp 43.05 -166.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.56 -147.51 10.77 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.66 -46.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 0.799 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.0 mt -134.05 132.51 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.3 t60 68.44 161.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.62 61.01 1.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.435 1.084 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.4 -49.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.489 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -44.12 -52.76 15.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.977 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.515 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 18.3 Cg_endo -75.05 62.22 5.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.405 1.739 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.512 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -81.65 -51.81 0.82 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.5 Cg_endo -74.94 -41.96 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 111.072 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -36.3 -58.18 1.0 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.515 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 18.3 Cg_endo -74.95 60.11 5.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -163.05 124.04 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.835 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . -76.53 -53.78 1.94 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.835 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 -89.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 54.07 81.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.642 ' O ' HD11 ' A' ' 60' ' ' LEU . . . 144.18 -66.23 0.45 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.51 90.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.554 ' OG ' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -39.37 147.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -67.96 -66.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' N ' HG22 ' A' ' 21' ' ' THR . 1.7 m80 -41.22 -35.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.601 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.554 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 53.2 m170 -64.17 -50.19 69.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.994 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.8 t-105 -70.16 -43.91 69.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' LEU . 9.2 tp -53.6 -27.68 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.651 ' O ' HD21 ' A' ' 87' ' ' LEU . 18.3 t-20 -71.01 -18.66 62.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.779 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -100.53 -34.19 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.5 tp -74.12 -21.93 59.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.51 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -54.7 -35.76 63.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -71.3 -22.39 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -22.65 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -82.0 -8.06 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 86' ' ' ILE . 89.6 mt -95.83 -107.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.52 91.06 46.8 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.369 1.043 . . . . 0.0 110.319 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 140.12 25.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' HA2' ' HD3' ' A' ' 38' ' ' PRO . . . 140.12 139.55 3.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.3 Cg_endo -74.97 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.432 1.754 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 0.8 OUTLIER 85.1 -71.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -51.37 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER 163.0 48.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -73.37 -56.34 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -90.65 -9.96 44.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -79.01 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -12.52 24.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.779 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.52 -40.77 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -63.12 -21.84 66.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -71.68 -34.02 69.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 31.1 t80 -73.58 -34.79 65.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.994 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 30.0 mt -70.82 -57.43 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.3 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.676 HD13 ' OH ' ' A' ' 76' ' ' TYR . 3.9 tt -69.0 -56.51 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.653 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -54.62 -30.37 54.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -62.59 -13.75 34.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -74.77 -3.12 29.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 56' ' ' THR . 13.5 t -150.62 95.41 3.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 67.81 5.92 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.87 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.62 -21.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.84 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.5 p-90 -94.91 -22.71 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD11 ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -67.96 -55.71 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.657 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -45.64 -60.18 3.7 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.657 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.99 -12.04 21.53 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 110.925 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.8 tp 38.03 89.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.6 117.29 3.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.494 ' CD1' HD12 ' A' ' 68' ' ' LEU . 25.9 t80 -66.06 -7.7 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -70.65 -26.85 63.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.006 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -83.64 -17.91 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.494 HD12 ' CD1' ' A' ' 65' ' ' TYR . 5.8 mt -69.46 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 -20.76 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 t -68.65 -38.51 80.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.41 -44.28 92.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.866 HD11 HD12 ' A' ' 84' ' ' ILE . 3.8 mt -50.31 112.73 2.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 47.87 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 30.11 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.38 -2.22 5.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.736 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -37.21 153.98 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.589 0.817 . . . . 0.0 111.052 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.443 1.759 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.68 -172.95 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 83' ' ' ILE . 53.8 mtp85 -98.5 20.02 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 0.73 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -59.67 -43.93 92.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 10.6 t -72.01 -40.3 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -28.91 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.817 HG12 HD12 ' A' ' 34' ' ' LEU . 6.1 mt -87.25 -60.49 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.866 HD12 HD11 ' A' ' 72' ' ' ILE . 56.1 mt -55.45 -23.79 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.632 1.207 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' VAL . 11.2 t-20 -66.34 -27.28 67.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.22 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.975 HD11 HD21 ' A' ' 34' ' ' LEU . 15.6 mt -73.34 -22.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 26' ' ' ASN . 22.8 mt -80.42 -47.78 13.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.984 HG13 HG21 ' A' ' 92' ' ' VAL . 8.1 t -63.36 -49.52 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -18.25 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -75.59 -63.22 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.682 ' O ' HG12 ' A' ' 92' ' ' VAL . 3.7 mp0 -131.12 -82.04 0.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.984 HG21 HG13 ' A' ' 88' ' ' VAL . 0.4 OUTLIER 86.16 22.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.259 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.499 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.5 OUTLIER 164.57 -56.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.3 Cg_endo -75.02 2.83 6.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -45.7 -56.74 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.997 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -175.39 91.77 0.29 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.27 37.91 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.787 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.615 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . 61.89 174.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.816 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . 167.66 -54.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.816 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -74.95 -54.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.784 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 m -54.09 157.39 4.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.43 11.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.447 1.762 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.12 155.51 33.55 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.781 ' O ' HG22 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -48.85 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.781 HG22 ' O ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER 53.14 171.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.672 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER 56.07 167.31 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 108.347 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 139.17 23.89 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.4 p 38.73 -154.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.431 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 111' ' ' PRO . 17.7 m -152.15 148.63 27.85 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.511 1.132 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' THR . 19.6 m -36.72 97.71 0.14 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.06 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.78 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.74 24.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.566 1.824 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.5 3.81 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 159.87 40.88 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.422 1.748 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 159.86 41.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 165.68 30.66 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.5 p -102.44 152.32 38.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.945 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.84 88.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.89 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.718 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.0 t-160 -139.86 -70.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 122' ' ' HIS . 0.9 OUTLIER 162.88 -51.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 123' ' ' VAL . 18.4 Cg_endo -75.0 155.53 42.95 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.6 Cg_endo -74.9 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.06 18.48 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 128' ' ' VAL . 0.1 OUTLIER 41.27 35.26 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.949 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.737 HG13 ' N ' ' A' ' 129' ' ' GLU . 0.4 OUTLIER 45.97 -170.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.737 ' N ' HG13 ' A' ' 128' ' ' VAL . 31.4 tt0 -163.53 89.31 1.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.09 27.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 m -61.57 116.68 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.2 p -139.92 -57.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.74 HG23 ' N ' ' A' ' 134' ' ' GLN . 1.1 t 40.88 -161.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.74 ' N ' HG23 ' A' ' 133' ' ' THR . 0.0 OUTLIER -171.38 -40.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 33.9 m -81.0 84.9 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 48.5 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.953 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.74 113.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -39.42 -50.33 3.0 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' HIS . 0.2 OUTLIER -65.62 162.66 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 5' ' ' HIS . 8.3 mm 65.91 -75.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.499 ' N ' HG22 ' A' ' 4' ' ' ILE . 10.8 m80 -160.64 92.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.57 54.79 4.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.544 1.153 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -175.51 -65.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 65.29 80.62 0.23 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' PRO . 18.1 Cg_endo -75.05 126.32 9.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' PRO . 68.0 p -36.88 97.69 0.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 12' ' ' ILE . 18.4 Cg_endo -74.98 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.515 ' C ' ' O ' ' A' ' 11' ' ' PRO . 0.9 OUTLIER 31.93 63.85 1.18 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.05 -37.83 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.543 1.812 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER 69.89 -63.28 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.49 99.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -74.97 55.81 4.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 63.23 107.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.38 -74.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.601 ' CD2' HD11 ' A' ' 60' ' ' LEU . 25.3 mt -138.66 49.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m 38.45 -150.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 109.94 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 22' ' ' HIS . 93.0 m -143.08 173.6 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.492 ' N ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER 81.92 -52.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.598 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -64.3 -49.71 70.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.585 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 46.4 t-105 -68.89 -43.99 74.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -52.89 -29.09 26.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 60.2 t30 -69.52 -22.43 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.106 ' CE1' HD21 ' A' ' 46' ' ' LEU . 7.0 t80 -91.93 -37.64 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 28' ' ' LEU . 7.5 tp -67.63 -30.55 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.96 -51.29 49.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.17 92.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.766 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -63.03 -14.18 44.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.0 -20.35 18.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 8.3 tpm_? -83.66 -28.03 28.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.02 HD21 HD11 ' A' ' 86' ' ' ILE . 36.4 mt -76.04 -159.74 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -60.19 139.04 91.54 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 35' ' ' GLN . 18.1 Cg_endo -74.99 -168.04 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' N ' ' CZ ' ' A' ' 41' ' ' PHE . . . 178.04 171.12 41.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 t -38.8 -66.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.07 129.65 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CZ ' ' N ' ' A' ' 37' ' ' GLY . 2.5 m-85 -110.99 26.14 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.98 35.43 2.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 41' ' ' PHE . 24.3 m-85 -67.38 -7.68 26.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -55.68 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -18.71 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.225 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.106 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.36 -56.6 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.42 -23.9 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.0 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' HG12 ' A' ' 72' ' ' ILE . 9.6 t80 -79.07 -38.14 37.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.585 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -67.07 -47.19 72.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.14 69.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.69 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -64.41 -51.29 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 71' ' ' LEU . . . -61.3 -29.07 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.7 tp -54.23 -22.6 12.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -76.11 -5.3 45.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.13 HG22 ' CG2' ' A' ' 58' ' ' ILE . 2.8 m -128.29 86.39 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 53.28 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.13 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.27 -21.9 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.794 ' HB3' HD22 ' A' ' 67' ' ' LEU . 26.9 p-90 -95.48 -21.65 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.601 HD11 ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.29 -52.52 22.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.54 -59.6 5.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.04 -4.96 16.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.448 1.762 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 36.36 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -166.93 114.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 27' ' ' PHE . 1.4 t80 -65.2 -8.47 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.552 ' OG ' ' NE2' ' A' ' 91' ' ' GLN . 16.2 m -62.56 -20.51 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.56 -17.29 23.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.672 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.7 mt -65.76 -60.51 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.85 -21.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 t -76.1 -43.65 42.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -55.22 -42.76 73.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.175 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 84' ' ' ILE . 41.4 mt -37.27 97.59 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.592 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.09 99.64 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 69.07 134.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -36.01 121.4 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.625 ' CD2' HG23 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -87.46 168.16 18.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.76 -170.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -104.05 19.6 19.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.775 . . . . 0.0 110.253 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.849 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -58.39 -47.76 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.501 HG22 HD13 ' A' ' 72' ' ' ILE . 40.9 t -61.5 -38.06 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.59 -35.05 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 80' ' ' VAL . 8.4 mt -70.29 -13.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -100.98 -42.2 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -53.8 -24.83 16.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.02 HD11 HD21 ' A' ' 34' ' ' LEU . 16.9 mt -74.14 -37.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 13.3 mt -71.77 -42.59 66.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.0 t -61.97 -49.6 83.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -61.99 -14.42 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.87 35.53 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.664 ' C ' HG12 ' A' ' 92' ' ' VAL . 5.8 mm-40 -78.4 -64.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.715 ' O ' HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER 168.57 73.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.465 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.1 OUTLIER 163.55 -54.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.4 Cg_endo -74.96 -4.28 15.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.612 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -39.43 -43.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.037 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . 168.31 -54.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 18.3 Cg_endo -74.95 93.4 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.68 -61.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.42 154.57 50.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.48 40.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -75.2 -51.88 3.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.05 -178.04 3.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.1 p -139.85 157.75 69.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.9 10.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.31 -47.03 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.0 p -128.91 156.22 78.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 108.271 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.34 4.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.564 1.823 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.91 HG22 HG23 ' A' ' 109' ' ' THR . 53.5 m -61.44 161.67 9.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.91 HG23 HG22 ' A' ' 108' ' ' THR . 71.8 p 44.47 -168.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 m 39.81 68.76 2.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.1 43.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.421 1.748 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.55 3.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.55 20.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 18.2 Cg_endo -75.12 155.12 42.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 118' ' ' SER . 18.4 Cg_endo -74.98 -176.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER 162.29 -52.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.0 Cg_endo -75.08 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 122' ' ' HIS . 12.2 pt-20 -53.54 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 120' ' ' GLU . . . 68.17 -69.84 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.384 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 120' ' ' GLU . 5.4 t-80 -76.04 -72.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.624 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 122' ' ' HIS . 79.5 t -39.48 99.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 122' ' ' HIS . 18.3 Cg_endo -75.01 171.72 17.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.42 1.747 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 158.59 42.12 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 1.018 ' O ' HG23 ' A' ' 128' ' ' VAL . 18.1 Cg_endo -75.02 89.72 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.689 ' CD1' ' N ' ' A' ' 127' ' ' TYR . 0.1 OUTLIER 35.97 -90.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 111.019 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 1.018 HG23 ' O ' ' A' ' 126' ' ' PRO . 65.3 t 67.69 -64.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 2.9 mt-10 -38.68 -56.02 2.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.759 ' O ' HG23 ' A' ' 131' ' ' THR . 18.2 Cg_endo -74.96 98.36 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 130' ' ' PRO . 1.2 p -161.54 178.64 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.365 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 134' ' ' GLN . 11.5 p 38.74 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 135' ' ' CYS . 6.7 m 63.42 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.46 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' THR . 2.0 pt20 38.58 -97.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.232 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 133' ' ' THR . 31.9 p -70.14 133.41 47.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 14.8 t80 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 10.6 t60 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptp 178.89 -35.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.26 172.5 37.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.809 ' C ' HD13 ' A' ' 4' ' ' ILE . 11.8 pt20 -165.52 55.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.809 HD13 ' C ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 40.5 -158.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -68.45 127.12 31.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.608 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.712 ' C ' HD23 ' A' ' 7' ' ' LEU . . . 37.82 -106.37 0.05 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.846 HD12 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -161.11 -72.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER 167.38 -54.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.846 ' HD2' HD12 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.99 -169.27 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 10' ' ' THR . 15.2 t -165.88 67.39 1.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 97.62 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.513 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -67.36 -51.95 31.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.01 139.16 23.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm 52.81 87.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.825 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . -63.18 -54.55 44.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.825 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.1 56.92 4.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.25 161.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.88 -103.32 2.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.721 HD13 ' NE2' ' A' ' 23' ' ' HIS . 3.6 mm? -96.77 121.14 38.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 0.753 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -81.25 -160.43 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.97 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m -122.17 -44.56 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -14.03 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.721 ' NE2' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -108.9 -36.8 6.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CE3' ' HB3' ' A' ' 27' ' ' PHE . 28.3 t-105 -70.14 -43.84 70.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.2 tp -53.27 -28.72 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.723 ' O ' HD21 ' A' ' 87' ' ' LEU . 55.4 t30 -70.23 -20.41 63.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.727 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -99.15 -33.64 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -75.19 -32.19 61.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.79 -48.33 81.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . . . -60.75 -46.75 89.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -57.35 -37.3 72.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -11.73 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -11.23 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.955 HD21 HD11 ' A' ' 86' ' ' ILE . 47.1 mt -89.77 -46.84 8.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 54.13 72.95 0.99 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 66.61 6.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.67 -148.91 21.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -73.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -174.93 140.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -150.88 -82.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.1 t80 178.6 65.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -80.55 -0.75 39.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -81.29 -14.03 57.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.02 -53.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.83 -25.04 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.727 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -80.06 -56.92 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -54.37 -20.04 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -79.62 -38.89 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.763 ' CE2' HD11 ' A' ' 84' ' ' ILE . 12.5 t80 -78.58 -33.45 47.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 ' CD2' ' A' ' 27' ' ' PHE . 7.1 mt -69.83 -52.94 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.53 -28.62 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.725 HD21 HD23 ' A' ' 71' ' ' LEU . 1.3 tt -65.18 -51.34 61.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.655 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -62.33 -31.43 72.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -53.21 -31.37 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -8.81 49.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.108 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.3 m -122.12 83.26 44.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.16 3.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.798 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.108 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.23 -21.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.897 ' HB3' HD22 ' A' ' 67' ' ' LEU . 24.1 p-90 -96.8 -23.65 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -67.65 -54.47 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.67 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.43 -60.44 4.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.396 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.67 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.0 -8.77 20.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.609 1.847 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 63' ' ' ILE . 1.9 tp 36.68 87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -157.72 116.64 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.551 ' HE1' HG23 ' A' ' 84' ' ' ILE . 6.5 t80 -65.42 -15.99 63.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.475 ' CB ' ' OD1' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -61.48 -23.48 65.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 110.024 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.01 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.1 tt -90.88 -19.25 23.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.5 mt -66.34 -60.21 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -21.88 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 68' ' ' LEU . 3.8 t -74.75 -43.68 53.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.725 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.82 -39.73 71.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.863 ' CD1' HG22 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -38.18 102.87 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 121.96 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.758 . . . . 0.0 110.969 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 73' ' ' PRO . 29.9 mtmm 31.64 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.527 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 57.65 121.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -79.67 -176.86 0.78 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.601 0.824 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.574 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 170.43 20.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.01 169.12 3.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.562 ' C ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER 72.63 6.7 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 81' ' ' VAL . 24.6 t -132.7 -82.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.863 HG22 ' CD1' ' A' ' 72' ' ' ILE . 21.5 t -57.8 -39.87 73.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -54.34 -22.25 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.707 HG12 HD12 ' A' ' 34' ' ' LEU . 6.8 mt -92.16 -35.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.763 HD11 ' CE2' ' A' ' 49' ' ' PHE . 20.5 mt -74.33 -36.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -54.29 -31.2 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.955 HD11 HD21 ' A' ' 34' ' ' LEU . 13.8 mt -65.54 -34.89 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.734 ' O ' HG12 ' A' ' 92' ' ' VAL . 21.1 mt -73.64 -42.94 60.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.428 HG13 ' HD3' ' A' ' 94' ' ' PRO . 16.6 t -64.75 -51.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -14.22 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -78.78 -65.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 165.48 61.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 87' ' ' LEU . 9.8 p -156.08 57.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.5 OUTLIER 168.85 -54.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.4 Cg_endo -75.0 79.55 2.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.5 p 56.1 165.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.49 ' HB3' ' HG3' ' A' ' 100' ' ' PRO . . . 40.49 64.45 4.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 96' ' ' ALA . 18.3 Cg_endo -75.0 59.94 5.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -170.74 49.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 42.18 90.55 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.49 ' HG3' ' HB3' ' A' ' 96' ' ' ALA . 18.4 Cg_endo -74.98 -178.52 4.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.83 154.99 93.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.63 4.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.2 m 50.95 87.18 0.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 87.85 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.546 1.813 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 60.2 mt -61.63 147.34 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.1 m -174.2 95.17 0.31 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.99 12.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.68 ' O ' HG23 ' A' ' 109' ' ' THR . 15.7 m 60.88 145.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 108' ' ' THR . 2.4 p -159.22 -44.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.8 p 39.0 66.54 2.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.7 42.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.57 3.82 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.46 31.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.412 1.743 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 168.07 25.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.53 3.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.465 ' C ' ' HD2' ' A' ' 119' ' ' PRO . 18.6 Cg_endo -74.99 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.591 1.837 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.02 -41.56 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.76 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.561 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.0 OUTLIER -37.61 -58.97 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.063 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.561 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.02 -67.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 70.37 148.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 122' ' ' HIS . . . -178.02 126.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.727 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.0 OUTLIER -39.75 -71.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 122' ' ' HIS . 0.9 OUTLIER 164.75 -52.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 123' ' ' VAL . 18.5 Cg_endo -74.95 155.52 43.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.4 Cg_endo -75.06 155.34 42.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.563 ' O ' ' CG ' ' A' ' 127' ' ' TYR . 18.4 Cg_endo -75.01 64.31 6.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 126' ' ' PRO . 53.3 p90 40.37 -163.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.408 HG12 ' C ' ' A' ' 127' ' ' TYR . 1.4 p 175.34 -35.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 0.0 OUTLIER -38.84 -55.82 2.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.89 81.2 2.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.3 p -72.85 151.96 41.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.454 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.5 p -40.53 -41.93 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 68.0 p -51.31 170.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 66.71 98.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 m -148.17 -62.59 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 108.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 20.7 p90 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.2 m170 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.77 145.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.01 109.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -47.12 159.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.403 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -134.68 51.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.04 174.87 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.18 -83.95 0.1 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.75 -69.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.488 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 7.0 p -166.65 63.36 0.75 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 110.046 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 8' ' ' SER . 18.3 Cg_endo -74.98 64.54 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.636 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -168.87 -63.37 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.636 ' HD3' ' CB ' ' A' ' 10' ' ' THR . 18.2 Cg_endo -74.98 -38.76 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 tt -164.2 89.4 1.1 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HB3' ' HA ' ' A' ' 9' ' ' PRO . 18.5 Cg_endo -75.04 103.4 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt 67.3 175.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -144.33 162.65 38.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 81.71 2.14 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.567 1.825 . . . . 0.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 158.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.619 ' C ' HD13 ' A' ' 63' ' ' ILE . . . -56.88 -61.15 7.83 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.4 1.062 . . . . 0.0 111.084 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.639 ' HB3' HD11 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -86.65 113.07 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.247 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -101.24 -170.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.06 . . . . 0.0 110.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -38.88 87.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 110.439 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -61.61 -43.74 98.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.522 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.48 -41.39 94.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.902 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 33.5 t-105 -73.56 -43.09 60.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.977 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.69 -28.26 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.751 ' O ' HD21 ' A' ' 87' ' ' LEU . 57.5 t30 -71.6 -21.69 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.058 ' CE1' HD21 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -99.67 -35.38 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.2 tp -68.4 -26.85 65.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -54.23 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.608 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -57.2 -39.43 75.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.533 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -67.71 -24.69 65.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -13.21 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.384 1.052 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -93.04 -9.98 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.714 HD21 HD11 ' A' ' 86' ' ' ILE . 16.7 mt -93.4 -64.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -142.23 97.79 6.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 96.78 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.772 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.59 99.88 0.13 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 117.43 4.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -166.12 50.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.918 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 47.68 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 45.7 t80 59.36 18.6 6.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.83 -47.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -79.76 -13.77 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -55.22 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -16.75 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.058 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -86.48 -55.91 3.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -19.12 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.25 -25.91 55.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 84' ' ' ILE . 42.4 t80 -95.08 -36.95 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.902 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 11.7 mt -71.35 -58.62 3.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -25.11 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -70.15 -55.58 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.53 -32.37 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.4 tp -62.78 -13.48 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -73.92 -4.05 32.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 56' ' ' THR . 13.0 t -150.88 96.6 3.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 110.377 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 68.66 5.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.906 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.44 -22.99 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HB3' HD22 ' A' ' 67' ' ' LEU . 9.2 p-90 -94.26 -24.4 17.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.639 HD11 ' HB3' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -67.86 -55.53 12.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.679 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -44.67 -60.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -12.24 21.48 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.619 HD13 ' C ' ' A' ' 18' ' ' GLY . 3.0 tp 38.15 89.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -158.44 117.93 3.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.758 ' HE2' HG23 ' A' ' 84' ' ' ILE . 11.3 t80 -64.81 -8.84 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 p -67.75 -28.88 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.99 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.1 tt -85.53 -18.97 31.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.539 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.1 mt -70.36 -62.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.53 -19.37 5.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -72.07 -36.9 69.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.936 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.73 -43.24 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.04 HD11 HD12 ' A' ' 84' ' ' ILE . 16.0 mt -56.71 115.59 10.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.1 48.44 2.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.1 mttm 28.16 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.22 -2.18 5.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.798 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -39.17 155.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.99 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.24 -173.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.52 21.67 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -59.06 -43.6 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG22 HD13 ' A' ' 72' ' ' ILE . 4.6 t -69.53 -40.26 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.44 -25.89 38.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.608 HG12 HD12 ' A' ' 34' ' ' LEU . 7.9 mt -85.03 -55.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.04 HD12 HD11 ' A' ' 72' ' ' ILE . 16.2 mt -58.75 -29.56 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -59.5 -34.77 73.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.714 HD11 HD21 ' A' ' 34' ' ' LEU . 18.0 mt -63.74 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.751 HD21 ' O ' ' A' ' 26' ' ' ASN . 20.8 mt -76.96 -46.0 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.83 -49.86 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -19.57 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.95 18.43 6.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.387 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.754 ' O ' HG22 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -146.11 -66.83 0.29 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 91' ' ' GLN . 5.2 m 51.14 24.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 p -178.52 156.26 0.96 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.971 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.25 27.64 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.567 1.824 . . . . 0.0 111.06 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -110.3 61.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.071 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.84 76.98 4.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -57.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.406 1.74 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -120.09 -76.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.858 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . 167.81 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -75.01 55.88 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 100' ' ' PRO . 2.8 p -39.46 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.08 59.14 5.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.771 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.507 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.8 OUTLIER -46.89 -51.33 39.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.1 Cg_endo -75.05 169.71 22.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -175.96 126.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -144.94 150.67 46.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -179.23 4.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.451 1.764 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.6 m -81.89 70.41 8.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.843 HG22 HG23 ' A' ' 110' ' ' THR . 54.6 m -66.03 157.49 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 110.326 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.843 HG23 HG22 ' A' ' 109' ' ' THR . 67.8 p 39.19 88.07 0.1 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.808 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.13 29.87 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.573 1.828 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.47 3.8 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.781 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 18.3 Cg_endo -74.94 155.02 43.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.558 1.82 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 115' ' ' PRO . 18.5 Cg_endo -74.93 156.02 43.3 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 77.96 3.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.1 m -82.17 153.97 69.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 60.36 5.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 61.36 126.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 66.06 121.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.24 -55.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 123' ' ' VAL . 2.4 p -171.21 77.35 0.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.8 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.48 3.81 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.51 1.795 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.11 22.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.43 1.753 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -67.23 173.19 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 110' ' ' THR . 28.2 m -108.82 133.06 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 0.0 OUTLIER 170.72 -55.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.95 172.35 16.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.798 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.9 m -108.71 -55.22 2.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.375 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 133' ' ' THR . 75.9 m -133.07 -53.32 0.91 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 133' ' ' THR . 1.3 t 38.84 35.84 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.405 ' CD ' ' C ' ' A' ' 133' ' ' THR . 4.3 pm0 38.9 48.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 10.5 t -158.07 -62.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 0' ' ' HIS . 3.0 tpp 76.06 -55.08 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.68 72.01 0.39 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.92 170.94 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.58 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -136.43 -175.4 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.451 ' CG ' HG12 ' A' ' 4' ' ' ILE . 32.7 m80 69.65 -67.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.56 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' ILE . . . 104.14 -111.26 3.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 7' ' ' LEU . 1.5 tt -129.8 64.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.16 116.43 65.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -38.75 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 46.6 p -63.38 157.69 62.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 110.455 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.582 ' O ' HD12 ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.01 -7.53 19.25 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 111.068 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER 164.21 -52.59 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.12 -174.9 2.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 151.73 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.27 76.18 2.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -173.24 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.421 1.748 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.39 179.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.33 51.32 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.538 ' CD1' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -148.86 108.76 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 0.711 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 22' ' ' HIS . 2.6 p -160.73 -80.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -149.2 22.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 20' ' ' SER . 5.2 p-80 -109.01 -27.81 9.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.614 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.538 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -109.99 -33.0 6.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.918 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 63.4 t-105 -73.41 -43.11 61.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 108.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 25' ' ' LEU . 7.8 tp -53.21 -25.31 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.487 ' O ' HD21 ' A' ' 87' ' ' LEU . 47.4 t30 -73.9 -26.97 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.697 ' CE1' HD11 ' A' ' 46' ' ' LEU . 3.1 t80 -92.52 -38.22 12.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.72 -15.08 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.372 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -83.4 -56.83 3.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.5 -39.38 76.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -63.13 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -13.38 59.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -92.08 -12.83 31.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.092 HD21 HD11 ' A' ' 86' ' ' ILE . 14.4 mt -101.51 -161.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 3.8 pt20 -40.74 100.63 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 114.53 4.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.83 170.51 17.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.3 Cg_endo -75.03 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.577 1.83 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 94.3 p 50.67 -93.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' ' OG ' ' A' ' 39' ' ' SER . 5.2 p-10 -129.32 132.99 47.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.28 30.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 175.72 44.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ASP . 15.1 m-85 -114.78 -27.68 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 2.5 pp0? -62.5 -49.93 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.62 -8.48 55.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.755 ' HG ' HG22 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -95.61 -39.17 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.864 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -70.62 -25.43 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 72' ' ' ILE . 11.5 t80 -76.87 -30.76 56.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.918 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -71.6 -49.62 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -56.26 -27.45 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.731 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -67.03 -54.04 25.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.744 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.95 -30.39 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.2 tp -62.1 -13.42 26.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -73.23 -4.77 35.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 56' ' ' THR . 14.3 t -149.3 95.84 3.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.59 5.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.87 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.42 -22.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.748 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.2 p-90 -94.48 -21.6 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.538 HD11 ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -71.24 -51.13 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.644 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -47.56 -59.36 5.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.03 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 35.1 88.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.73 112.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.675 ' OH ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 t80 -63.47 -10.69 18.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -59.15 -18.5 36.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.005 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.31 -18.68 22.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.744 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.6 mt -68.2 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -22.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -73.51 -34.8 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.04 -51.73 66.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.836 HD13 HG22 ' A' ' 81' ' ' VAL . 4.9 mt -39.55 99.62 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.94 85.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 77.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . . . -37.03 120.02 0.65 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.57 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -92.98 177.25 2.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.728 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.87 -175.44 2.34 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.52 -171.89 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -101.81 21.18 14.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.38 0.694 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.755 HG22 ' HG ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -58.7 -43.89 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.836 HG22 HD13 ' A' ' 72' ' ' ILE . 12.2 t -70.09 -38.49 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' HA ' ' ND2' ' A' ' 85' ' ' ASN . 14.6 mm-40 -58.77 -25.01 62.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.917 HG12 HD12 ' A' ' 34' ' ' LEU . 5.8 mt -86.9 13.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 27' ' ' PHE . 1.2 mt -120.1 -48.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.521 ' C ' ' OD1' ' A' ' 85' ' ' ASN . 6.0 p30 -53.82 -20.57 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.092 HD11 HD21 ' A' ' 34' ' ' LEU . 84.6 mt -76.08 -34.02 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.487 HD21 ' O ' ' A' ' 26' ' ' ASN . 18.9 mt -73.06 -43.64 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.427 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 8.7 t -62.86 -49.5 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.688 ' HA ' HG22 ' A' ' 92' ' ' VAL . 3.6 ttpt -60.33 -15.39 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -77.27 -54.01 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.631 ' HG3' HG13 ' A' ' 92' ' ' VAL . 5.9 pt20 -57.78 -31.99 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 89' ' ' LYS . 4.0 m -89.4 -35.3 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 89' ' ' LYS . 33.1 t 42.96 93.25 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -137.25 -61.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.06 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -156.58 160.19 30.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.09 40.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.631 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -47.15 127.28 10.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.837 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . 168.02 -54.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.837 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -75.0 123.43 7.88 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.39 1.732 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -75.03 -51.52 3.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.2 Cg_endo -74.99 123.91 8.24 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.36 -53.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.4 Cg_endo -74.98 -164.93 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 104' ' ' PRO . 1.1 pt 40.23 -99.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -70.76 118.39 64.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 108.338 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 80.41 2.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.0 m 39.47 64.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 111' ' ' PRO . 1.3 t -63.24 -35.07 79.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' THR . 13.3 m -36.86 97.7 0.14 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.07 172.99 15.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 155.53 43.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.407 ' HG3' ' HA ' ' A' ' 126' ' ' PRO . 18.3 Cg_endo -75.02 113.58 3.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 113.43 3.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.435 ' C ' ' OG ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.07 -70.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.511 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.0 OUTLIER 175.85 -56.78 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.5 Cg_endo -74.91 -33.75 4.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 119' ' ' PRO . 1.6 tt0 81.68 -63.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 63.1 -99.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 3.8 p-80 -70.02 107.43 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 123' ' ' VAL . 9.3 p -39.39 99.76 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.415 ' CG ' ' HG2' ' A' ' 120' ' ' GLU . 18.5 Cg_endo -74.9 113.53 3.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.792 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 113.58 3.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 128' ' ' VAL . 18.1 Cg_endo -75.09 168.7 24.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.411 ' CB ' ' O ' ' A' ' 126' ' ' PRO . 0.3 OUTLIER 67.82 -65.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 126' ' ' PRO . 77.5 t -56.05 -80.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.05 154.26 0.32 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.656 ' O ' HG23 ' A' ' 132' ' ' THR . 18.3 Cg_endo -74.95 165.61 30.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.822 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.4 p 38.72 -101.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 130' ' ' PRO . 24.0 p 38.83 56.67 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 68.0 p 38.86 85.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -39.1 129.91 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.612 ' O ' ' CD2' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -118.75 64.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.242 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.56 103.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.445 ' O ' ' CG ' ' A' ' 5' ' ' HIS . . . -102.41 94.29 1.16 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -39.34 -44.47 1.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 0.787 . . . . 0.0 110.238 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 tt -41.78 -46.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -47.63 172.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.599 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.0 -81.66 0.24 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -41.7 -64.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.45 ' CB ' ' HG2' ' A' ' 11' ' ' PRO . 0.6 OUTLIER 61.42 71.31 0.79 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -67.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.493 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -42.82 -51.28 12.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.391 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 144.91 30.66 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 pt -131.01 72.02 82.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -58.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.17 169.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 62.11 91.6 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -89.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -176.29 52.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.783 ' O ' HD11 ' A' ' 60' ' ' LEU . . . 64.34 10.55 42.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tp -152.93 97.55 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 0.792 . . . . 0.0 109.223 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.419 ' HB3' ' ND1' ' A' ' 23' ' ' HIS . 1.1 t -65.39 151.71 45.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -66.84 -61.54 1.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.417 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.445 ' ND1' HD11 ' A' ' 63' ' ' ILE . 38.7 m170 -62.98 -46.31 88.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.925 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 48.4 t-105 -69.58 -43.15 73.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.087 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -51.98 -33.73 39.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.575 ' OD1' HD22 ' A' ' 87' ' ' LEU . 38.8 t30 -64.06 -26.37 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -91.65 -32.94 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.689 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 15.2 tp -78.45 -20.61 50.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -71.85 -59.15 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -55.35 -34.53 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -71.91 -16.56 62.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.84 -16.21 21.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -19.99 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' A' ' 86' ' ' ILE . 23.9 mt -62.28 -63.3 1.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER 172.2 92.6 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 55.21 3.87 Favored 'Trans proline' 0 C--N 1.358 1.06 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.73 -161.17 10.9 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.39 7.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -90.35 30.48 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.05 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER 167.08 145.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER 172.75 67.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.928 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -121.53 -83.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.689 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 74.69 -9.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.9 pt20 -80.22 -53.7 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 3.6 mm-40 -65.16 -10.67 33.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -89.28 -41.07 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' A' ' 50' ' ' LEU . 7.2 tmm_? -66.93 -26.48 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 110.298 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -44.78 83.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.352 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 34.3 t80 -59.39 -34.49 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.925 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 14.8 mt -72.04 -55.68 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -56.58 -27.45 57.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.4 tt -67.26 -55.08 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.626 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.27 -28.22 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.1 tp -64.07 -12.32 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -2.39 28.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 56' ' ' THR . 13.2 t -151.44 96.61 3.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.448 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 68.16 5.74 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.892 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.24 -22.99 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.846 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.2 p-90 -95.2 -24.04 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.783 HD11 ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -68.88 -54.36 16.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.652 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -45.49 -60.05 3.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.02 -10.71 21.29 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.394 1.733 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 63' ' ' ILE . 3.4 tp 38.24 90.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.5 114.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.87 -9.59 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -65.84 -23.02 66.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.018 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -89.13 -17.22 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.5 mt -67.77 -61.49 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.3 -21.93 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -69.3 -40.3 77.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.92 -40.46 80.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.783 HG23 ' HB2' ' A' ' 76' ' ' TYR . 8.5 mt -51.73 116.02 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 47.47 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER 29.54 88.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 129.14 -1.24 6.17 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.783 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -36.37 153.58 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 -167.9 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.45 -172.88 0.19 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 20.48 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.519 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.2 t -60.05 -46.84 93.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 HD13 ' A' ' 72' ' ' ILE . 4.2 t -67.91 -39.27 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -55.71 -26.43 45.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 31' ' ' ALA . 4.5 mt -89.2 -51.75 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.758 HD12 HD11 ' A' ' 72' ' ' ILE . 5.5 mt -62.03 -24.89 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -64.29 -33.37 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.855 HD11 ' CD2' ' A' ' 34' ' ' LEU . 6.6 mt -62.58 -35.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.575 HD22 ' OD1' ' A' ' 26' ' ' ASN . 44.1 mt -67.58 -42.79 81.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.44 -50.5 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.527 ' O ' HG12 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -66.66 -18.51 65.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -80.51 -55.62 4.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.492 ' C ' HG13 ' A' ' 92' ' ' VAL . 4.6 pt20 -67.56 -53.11 31.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER 54.29 19.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -39.57 150.19 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.087 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 150.39 38.01 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.65 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 90.5 p -117.3 133.97 55.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . 166.13 -53.69 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 18.4 Cg_endo -74.98 67.8 5.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.618 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -81.37 157.9 24.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.843 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . 168.27 -54.61 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.379 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.2 Cg_endo -75.09 -86.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 101' ' ' VAL . 14.6 p -173.88 64.49 0.29 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 103' ' ' THR . 18.1 Cg_endo -74.98 -28.07 9.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.32 -53.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 103' ' ' THR . 17.9 Cg_endo -75.11 99.77 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.428 1.752 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.7 mm -41.87 126.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.22 149.65 0.53 Allowed Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 108.33 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.483 ' O ' HG22 ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.01 -61.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.489 1.783 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 109' ' ' THR . 0.1 OUTLIER -43.35 -85.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.437 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.652 ' H ' HG23 ' A' ' 108' ' ' THR . 0.9 OUTLIER 37.9 81.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.41 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.773 HG22 ' HD2' ' A' ' 111' ' ' PRO . 1.8 m 61.63 147.04 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.773 ' HD2' HG22 ' A' ' 110' ' ' THR . 18.2 Cg_endo -75.06 171.68 17.85 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.578 1.831 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 170.0 21.37 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.382 1.728 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.5 3.8 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.25 42.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 18.3 Cg_endo -74.97 155.0 43.05 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.802 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 116' ' ' PRO . 18.5 Cg_endo -74.88 -179.21 4.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.458 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.5 OUTLIER 167.13 -54.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.6 Cg_endo -74.87 -46.43 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.42 1.747 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 6.8 pt-20 42.22 -164.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 120' ' ' GLU . . . 74.29 -82.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.85 49.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 80.0 t 40.97 72.89 0.96 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 18.3 Cg_endo -75.04 155.87 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.792 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.2 Cg_endo -74.98 160.73 39.88 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.792 . . . . 0.0 111.048 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.9 36.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.579 1.831 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -116.76 68.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 128' ' ' VAL . 8.0 p -132.15 56.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -179.37 151.73 0.64 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 -52.33 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.779 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -143.1 -56.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 132' ' ' THR . 11.1 t -41.05 118.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.2 t -102.26 -28.73 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.442 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.27 159.12 30.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 136' ' ' PHE . 10.5 m -151.74 143.49 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 108.272 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.468 ' CG ' ' O ' ' A' ' 135' ' ' CYS . 22.2 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.429 ' CE1' ' HA3' ' A' ' 2' ' ' GLY . 4.3 t-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.29 61.05 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 0' ' ' HIS . . . -87.35 172.63 43.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -144.54 170.56 15.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 0.79 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 tp -173.9 145.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 m80 52.72 176.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.2 167.18 42.06 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -169.21 -64.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 m -137.26 93.47 12.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 58.94 5.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 m 60.73 86.16 0.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.376 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.413 1.744 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -48.03 147.67 3.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.5 Cg_endo -74.91 -179.34 4.87 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -173.54 61.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.43 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -58.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 64.5 87.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.34 -65.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -77.9 74.55 4.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.9 m -147.49 -80.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 21' ' ' THR . 54.4 m -131.66 16.95 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.46 -65.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CE1' HG13 ' A' ' 63' ' ' ILE . 64.9 m80 -82.77 -23.03 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.711 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 49.1 t-105 -71.74 -43.25 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 25' ' ' LEU . 7.5 tp -52.12 -30.66 27.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.949 ' ND2' HD13 ' A' ' 87' ' ' LEU . 40.8 t30 -68.28 -25.6 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -91.55 -34.13 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 111.052 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.877 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 17.0 tp -77.13 -14.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' TYR . 2.5 mt-30 -80.83 -63.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.47 -27.67 17.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -77.7 -26.64 50.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -85.39 -6.95 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -99.67 -10.38 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.993 HD21 HD11 ' A' ' 86' ' ' ILE . 87.6 mt -88.12 -108.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.49 155.1 44.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' PRO . 18.3 Cg_endo -75.06 139.89 24.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -36.5 97.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.08 67.83 5.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 18.8 m 56.82 67.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 2.0 m-20 155.24 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.362 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER 75.04 -0.21 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER 53.25 22.37 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.877 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 9.6 m-30 -83.77 -13.03 54.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -56.59 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -58.44 -17.97 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.02 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -85.93 -58.34 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -53.01 -20.16 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -31.37 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.63 ' CE1' ' CG1' ' A' ' 72' ' ' ILE . 18.3 t80 -80.8 -33.91 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 6.6 mt -70.36 -49.49 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.08 36.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.571 ' C ' HD23 ' A' ' 52' ' ' LEU . 5.1 tt -71.58 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.78 -28.91 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -63.74 -12.8 37.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -73.45 -4.06 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 56' ' ' THR . 14.8 t -150.9 95.12 3.46 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 67.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.871 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.86 -21.64 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 109.221 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.858 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.8 p-90 -94.91 -23.08 17.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -68.06 -55.87 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.669 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -45.17 -60.42 3.23 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.669 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.05 -11.3 21.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 63' ' ' ILE . 1.5 tp 37.95 87.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.96 121.73 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.658 ' CE2' ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -69.87 -2.22 11.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 111.019 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -76.19 -40.12 53.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.0 tt -74.39 -21.87 59.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.0 mt -69.99 -62.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -20.79 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.1 t -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.545 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.25 -55.33 22.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.902 HD13 HG22 ' A' ' 81' ' ' VAL . 80.7 mt -41.52 100.74 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -75.06 50.7 2.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' PRO . 9.7 ttpt 34.82 44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.35 3.23 5.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.46 ' OH ' HD13 ' A' ' 52' ' ' LEU . 4.5 m-85 -100.22 122.95 48.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' GLY . 18.3 Cg_endo -75.1 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.31 173.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.62 ' C ' HD12 ' A' ' 83' ' ' ILE . 7.2 mmp_? 81.57 -7.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.264 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 81' ' ' VAL . 25.3 t -135.03 -80.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.902 HG22 HD13 ' A' ' 72' ' ' ILE . 4.5 t -61.19 -38.23 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 3.6 mm-40 -57.71 -15.48 8.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.816 HG12 HD12 ' A' ' 34' ' ' LEU . 5.7 mt -100.05 -37.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.692 HD12 HD11 ' A' ' 72' ' ' ILE . 54.2 mt -75.48 -40.32 41.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 27.4 p-10 -52.72 -26.22 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.993 HD11 HD21 ' A' ' 34' ' ' LEU . 19.0 mt -70.9 -35.39 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.949 HD13 ' ND2' ' A' ' 26' ' ' ASN . 19.7 mt -70.99 -42.96 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.44 -50.53 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 93' ' ' SER . 4.0 tttt -65.38 -16.79 63.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 7.3 t30 -55.64 -30.8 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -116.59 -42.2 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.6 t -59.63 -16.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.9 t -62.44 150.16 86.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 138.39 22.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.0 t 46.68 95.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.02 159.26 59.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.67 4.64 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.63 62.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.98 77.94 0.25 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.48 40.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.438 1.757 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.67 HG11 ' HB3' ' A' ' 104' ' ' PRO . 2.4 t 63.61 136.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 75.08 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.4 m 66.02 86.81 0.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.67 ' HB3' HG11 ' A' ' 101' ' ' VAL . 18.3 Cg_endo -75.03 0.15 9.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.0 mm -44.79 -85.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -52.0 -54.1 44.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 106' ' ' CYS . 18.3 Cg_endo -74.96 89.06 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.456 1.766 . . . . 0.0 111.042 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.9 m -91.8 61.87 4.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 68.0 p -60.93 179.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 110' ' ' THR . 7.5 t -172.02 70.94 0.46 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.48 3.8 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 113.47 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.809 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 113.47 3.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 111.045 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.56 3.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.63 32.99 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -41.24 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.43 1.753 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.52 160.69 0.13 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.947 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -52.87 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.87 31.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -40.47 -58.46 1.56 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.907 ' O ' HG22 ' A' ' 123' ' ' VAL . 11.2 p-80 -113.09 57.84 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.594 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 122' ' ' HIS . 3.0 m 55.69 159.83 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 113.49 3.81 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.524 1.802 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.44 3.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 143.23 29.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.524 1.802 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.916 ' CE2' HG12 ' A' ' 128' ' ' VAL . 6.2 p90 -165.54 -42.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.916 HG12 ' CE2' ' A' ' 127' ' ' TYR . 0.7 OUTLIER -173.94 -165.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.615 ' N ' HG13 ' A' ' 128' ' ' VAL . 0.0 OUTLIER 170.1 -55.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.461 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.93 -89.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 131' ' ' THR . 8.8 t -86.43 110.41 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.0 t -100.56 -27.21 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.2 p -69.66 95.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -163.6 61.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 136' ' ' PHE . 25.6 p -56.02 -27.96 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.275 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 135' ' ' CYS . 2.2 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 1' ' ' MET . 56.0 m80 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 11.9 ptp 43.46 -166.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.87 117.92 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.81 ' C ' HD13 ' A' ' 4' ' ' ILE . 2.8 tt0 -74.92 59.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.81 HD13 ' C ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 40.5 -158.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -85.97 -64.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.569 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.06 -111.43 2.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 tp 71.6 161.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.37 153.55 0.58 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.69 8.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.445 1.76 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 11' ' ' PRO . 2.5 m -66.29 146.56 99.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 10' ' ' THR . 18.1 Cg_endo -75.01 -88.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.67 ' O ' HD12 ' A' ' 12' ' ' ILE . 1.4 pp 31.22 86.92 0.12 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 162.57 36.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.596 1.84 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -142.16 56.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.802 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 167.47 -54.36 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.802 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 146.46 32.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 113.43 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.92 133.33 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.844 HD22 HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -44.93 167.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.545 ' OG ' ' CG ' ' A' ' 23' ' ' HIS . 1.3 p -148.61 152.22 36.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.389 1.056 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.64 -45.22 73.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -41.47 94.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.545 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 3.4 m-70 -60.83 -44.76 96.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 1.018 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 43.9 t-105 -71.55 -42.78 67.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 7.5 tp -53.86 -31.08 48.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.703 ' O ' HD21 ' A' ' 87' ' ' LEU . 55.8 t30 -67.58 -13.78 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.924 ' CE1' HD11 ' A' ' 46' ' ' LEU . 1.3 t80 -108.84 -34.3 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 14.4 tp -72.08 -23.08 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.21 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 2.0 mt-30 -70.69 -59.06 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.381 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -54.84 -35.24 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.633 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.69 -17.11 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -91.09 -11.91 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.709 ' CD2' HD11 ' A' ' 86' ' ' ILE . 30.9 mt -81.08 -108.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 179.58 145.45 0.38 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -171.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.423 1.749 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.22 -89.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 161.81 38.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.6 p -72.7 80.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 23.1 t70 178.84 -37.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CG ' ' C ' ' A' ' 40' ' ' ASP . 3.4 m-85 74.84 11.3 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 67.24 50.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 3.8 m-30 -107.44 -39.2 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -53.34 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.43 ' O ' ' NE ' ' A' ' 48' ' ' ARG . 26.7 pt20 -68.5 -6.99 28.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.924 HD11 ' CE1' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -94.7 -40.21 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.239 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.626 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -63.27 -20.59 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 45' ' ' GLN . 24.3 ptt180 -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.579 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 40.4 t80 -67.6 -34.91 77.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.018 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 7.6 mt -71.11 -51.69 23.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -54.3 -26.02 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 71' ' ' LEU . 3.7 tt -69.41 -56.45 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -58.05 -32.79 68.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 19' ' ' LEU . 1.2 tp -62.59 -13.51 32.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -73.03 -4.41 32.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 56' ' ' THR . 12.3 t -151.46 96.5 3.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 68.93 5.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.878 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.26 -21.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.8 p-90 -94.72 -23.7 17.45 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.59 1.181 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.844 HD11 HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -67.52 -55.37 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.675 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -45.62 -60.65 3.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -75.0 -10.97 21.45 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.55 1.816 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.6 tp 37.78 88.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -157.44 118.06 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.633 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.6 t80 -65.12 -8.99 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.2 p -66.76 -34.19 77.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.991 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -78.99 -18.41 53.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 68' ' ' LEU . 4.8 mt -69.14 -61.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.01 -20.71 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -74.01 -40.7 62.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.32 -42.48 86.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.382 1.051 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.735 HD11 HD12 ' A' ' 84' ' ' ILE . 17.3 mt -42.67 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -75.03 114.27 3.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.2 tttt 37.21 50.34 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 59.31 123.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.546 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -84.11 173.16 7.7 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 0.739 . . . . 0.0 110.972 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.546 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 -169.18 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.07 -171.58 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -93.09 19.6 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -56.67 -41.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.633 HG22 HD13 ' A' ' 72' ' ' ILE . 47.8 t -73.08 -39.94 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -27.72 60.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 31' ' ' ALA . 7.5 mt -83.55 -12.03 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.735 HD12 HD11 ' A' ' 72' ' ' ILE . 70.1 mt -102.82 -35.85 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.33 -25.02 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.709 HD11 ' CD2' ' A' ' 34' ' ' LEU . 15.9 mt -72.57 -35.74 51.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 26' ' ' ASN . 27.6 mt -65.09 -42.7 93.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -69.14 -49.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -2.22 32.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.196 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 91' ' ' GLN . 5.6 p-10 -55.33 -19.57 9.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 92' ' ' VAL . 12.9 tp60 85.22 66.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 91' ' ' GLN . 37.2 t -155.2 -46.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.484 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -39.48 -52.91 4.44 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 93' ' ' SER . 18.3 Cg_endo -75.01 173.31 14.74 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.4 p -172.63 169.78 4.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -172.02 84.02 0.46 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 56.34 4.21 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.54 1.811 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' ALA . . . 56.13 169.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ALA . . . -39.55 100.0 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ALA . 18.1 Cg_endo -75.05 -55.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.47 ' O ' ' HD2' ' A' ' 104' ' ' PRO . 22.5 m 40.28 63.68 5.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.543 ' HA ' ' CG2' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.08 -9.78 20.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.577 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 0.8 OUTLIER -71.37 -60.34 2.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.438 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' A' ' 103' ' ' THR . 18.3 Cg_endo -75.02 -56.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.585 1.834 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CG2' ' HA ' ' A' ' 102' ' ' PRO . 7.5 pt 51.48 34.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -72.09 -54.06 6.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 106' ' ' CYS . 18.4 Cg_endo -75.02 178.99 6.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 110' ' ' THR . 43.3 p -41.07 -54.05 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.9 m 63.75 -78.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 108' ' ' THR . 41.0 p -51.95 159.5 1.39 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.5 3.81 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.53 1.806 . . . . 0.0 111.039 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 113.46 3.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.53 3.81 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 173.49 14.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.396 1.735 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 113.56 3.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.541 1.811 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.58 29.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.75 150.14 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.92 23.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.45 71.18 10.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -155.47 115.01 3.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 59.68 58.07 2.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.672 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 123' ' ' VAL . 66.7 t -127.31 72.83 77.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 113.56 3.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.458 ' O ' ' CD1' ' A' ' 127' ' ' TYR . 18.2 Cg_endo -75.01 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 126' ' ' PRO . 29.2 m-85 -145.53 -59.39 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 t -142.6 121.16 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 1.5 tp10 -73.24 -52.01 5.57 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.95 132.72 15.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.9 p -65.23 -45.48 84.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 134' ' ' GLN . 80.4 p -39.59 -59.27 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 28.6 m 63.93 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 132' ' ' THR . 0.1 OUTLIER -103.85 -54.08 2.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 13.9 p 41.92 38.87 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 108.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 136' ' ' PHE . 6.6 p90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 13.9 m80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mmt 61.96 124.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.33 136.11 10.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.427 ' HA ' ' NE2' ' A' ' 3' ' ' GLN . 17.0 mm-40 -144.34 -67.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 4' ' ' ILE . 15.4 mm -147.59 -53.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -40.24 111.32 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.578 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.64 -147.56 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.3 mt -151.47 -88.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.488 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -77.4 -52.37 1.78 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.966 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.3 Cg_endo -74.99 61.79 5.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -38.71 150.51 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 10' ' ' THR . 18.1 Cg_endo -75.03 113.17 3.73 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -40.85 147.69 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.02 177.74 8.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.437 1.756 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.33 85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.41 154.53 73.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.777 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.59 51.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.96 78.49 1.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.749 HD11 ' HZ3' ' A' ' 59' ' ' TRP . 3.5 mm? 40.69 49.49 2.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.654 ' CB ' ' CE1' ' A' ' 22' ' ' HIS . 4.8 p 38.04 -149.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 21' ' ' THR . 3.2 m -145.59 28.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.654 ' CE1' ' CB ' ' A' ' 20' ' ' SER . 12.0 p-80 -123.11 -44.43 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.624 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.586 ' CE1' ' OG ' ' A' ' 20' ' ' SER . 1.9 p-80 -84.58 -30.17 25.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CH2' HD11 ' A' ' 50' ' ' LEU . 25.4 t-105 -75.17 -43.97 49.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 108.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.6 tp -52.08 -28.04 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.647 ' OD1' HD13 ' A' ' 87' ' ' LEU . 7.5 t-20 -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.588 ' CE1' HD11 ' A' ' 46' ' ' LEU . 1.9 t80 -86.22 -40.05 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 9.6 tp -65.74 -11.97 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -84.98 -57.12 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' HB2' HD23 ' A' ' 87' ' ' LEU . . . -58.27 -43.38 87.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -56.82 -37.29 71.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -72.9 -17.93 61.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.175 . . . . 0.0 111.046 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -9.39 56.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.907 HD11 HD12 ' A' ' 86' ' ' ILE . 15.8 mt -112.65 -164.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 40.29 90.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.92 4.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.504 1.792 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.46 106.57 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.165 . . . . 0.0 111.045 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.4 Cg_endo -74.94 163.81 34.68 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 2.4 t 85.24 -47.94 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 0.0 109.98 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.47 107.6 17.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.652 ' CD2' ' CE2' ' A' ' 43' ' ' PHE . 32.9 m-85 -93.79 -29.21 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 41' ' ' PHE . 4.0 m-20 78.12 32.91 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' CE2' ' CD2' ' A' ' 41' ' ' PHE . 13.0 m-85 -60.45 -15.04 22.82 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.7 pt20 -67.08 -53.2 33.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 10.1 mt-30 -70.48 -7.94 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -93.75 -40.52 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.36 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -59.17 -25.37 63.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -41.05 95.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.89 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 6.8 t80 -68.47 -51.81 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.686 HD11 ' CH2' ' A' ' 24' ' ' TRP . 9.8 mt -61.46 -39.6 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -67.38 -28.03 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.71 HD21 HD23 ' A' ' 71' ' ' LEU . 3.7 tt -70.38 -57.35 4.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.653 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.56 -30.23 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -63.53 -12.48 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -76.18 -1.08 24.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 56' ' ' THR . 13.2 t -153.61 96.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 68.29 5.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.871 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.32 -21.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.84 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.2 p-90 -95.76 -22.54 17.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 107.931 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.75 -55.47 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.666 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -46.44 -60.25 3.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.96 -11.32 21.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.2 tp 36.89 88.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -158.08 117.58 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.98 ' CE2' HG23 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -64.66 -8.89 16.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -67.54 -22.79 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.04 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.019 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.4 tt -91.54 -15.97 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.89 HD22 ' CZ ' ' A' ' 49' ' ' PHE . 5.5 mt -65.16 -61.68 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.77 -27.46 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -36.3 83.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.71 HD23 HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -71.95 -3.57 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.725 HG21 ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -129.1 64.48 71.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HD3' ' C ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.02 58.31 4.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt 75.48 48.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . -115.03 -109.75 2.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.486 ' C ' ' O ' ' A' ' 75' ' ' GLY . 2.9 m-85 -30.48 143.68 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.07 -178.76 4.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.99 175.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.636 ' C ' HD12 ' A' ' 83' ' ' ILE . 1.8 ttm-85 90.11 -9.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 81' ' ' VAL . 23.0 t -132.42 -82.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.725 ' CG2' HG21 ' A' ' 72' ' ' ILE . 6.6 t -56.22 -40.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HG3' HD13 ' A' ' 34' ' ' LEU . 1.8 pt-20 -54.5 -20.92 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.865 HG12 HD12 ' A' ' 34' ' ' LEU . 5.3 mt -98.54 -25.81 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.98 HG23 ' CE2' ' A' ' 65' ' ' TYR . 1.4 mt -78.16 -50.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.06 -20.37 6.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.907 HD12 HD11 ' A' ' 34' ' ' LEU . 59.0 mt -79.75 -34.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.857 HD12 ' CE2' ' A' ' 65' ' ' TYR . 81.7 mt -59.27 -42.56 91.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.748 HG23 ' OH ' ' A' ' 65' ' ' TYR . 2.8 t -66.5 -53.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -20.49 18.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.071 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -89.65 -22.14 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.61 -57.51 4.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 92' ' ' VAL . 11.4 p -174.6 64.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.38 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.6 p -38.74 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 97' ' ' PRO . 18.4 Cg_endo -75.0 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -162.33 -43.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.957 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.833 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -40.48 -54.64 4.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.833 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 18.5 Cg_endo -74.99 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 97' ' ' PRO . . . 73.68 -59.73 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.69 74.37 69.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.34 29.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.416 ' O ' ' HD2' ' A' ' 104' ' ' PRO . 66.2 t -132.07 67.72 79.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 103' ' ' THR . 18.2 Cg_endo -75.03 5.15 4.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER -33.97 -54.59 0.81 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.46 ' HD3' ' CB ' ' A' ' 103' ' ' THR . 18.2 Cg_endo -74.97 137.64 22.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.584 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -117.11 -39.52 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.412 ' N ' HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -177.04 75.48 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.04 -31.46 6.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 108' ' ' THR . 4.7 t -64.03 76.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.455 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 107' ' ' PRO . 0.6 OUTLIER 55.37 166.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.446 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.747 HG23 ' HD2' ' A' ' 111' ' ' PRO . 2.5 m -138.62 146.48 50.79 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.747 ' HD2' HG23 ' A' ' 110' ' ' THR . 18.4 Cg_endo -74.97 155.58 43.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.93 17.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.9 42.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 155.48 43.2 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.383 1.728 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 18.2 Cg_endo -74.97 155.53 43.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 116' ' ' PRO . 18.4 Cg_endo -74.94 -1.66 11.5 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.34 151.02 24.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -178.83 4.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.436 1.756 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -35.44 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -146.37 -78.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.443 ' C ' HG12 ' A' ' 123' ' ' VAL . 40.4 p-80 -174.37 119.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.593 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.443 HG12 ' C ' ' A' ' 122' ' ' HIS . 6.2 p 42.3 64.64 5.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 123' ' ' VAL . 18.3 Cg_endo -74.96 156.18 43.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.13 34.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 64.07 6.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.41 115.7 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 51.0 t -90.47 94.55 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.95 163.11 67.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 57.78 4.7 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.9 m 59.66 117.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 12.8 t -174.31 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 14.8 t -137.62 165.62 25.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -165.41 72.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.6 t 67.41 165.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.9 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttp 56.29 59.9 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -42.57 132.73 4.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.28 85.52 1.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.409 0.711 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -169.95 -42.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.285 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -46.24 -62.74 1.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.02 -97.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.693 HD22 ' N ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -169.31 173.16 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.251 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.693 ' N ' HD22 ' A' ' 7' ' ' LEU . 89.9 p -113.54 93.87 29.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.026 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 136.28 20.25 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.499 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -46.34 -51.26 35.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.435 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 85.69 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CD1' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -146.44 137.52 12.77 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 109.24 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 12' ' ' ILE . 18.3 Cg_endo -74.96 58.22 4.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HB2' HD12 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -157.73 42.39 0.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.88 153.94 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.237 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ARG . 17.9 Cg_endo -75.04 53.7 3.43 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER 48.7 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.654 1.221 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.7 140.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.639 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 8.7 mt -80.19 82.03 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.24 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' LEU . 18.9 p -38.25 153.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.794 ' HB ' HD22 ' A' ' 25' ' ' LEU . 1.4 p -73.5 57.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -132.37 -45.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.639 ' CE1' ' HB3' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -100.89 -36.33 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.646 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.969 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 57.0 t-105 -75.77 -46.21 32.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 21' ' ' THR . 6.0 tp -53.01 -19.48 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' OD1' HD22 ' A' ' 87' ' ' LEU . 50.4 t30 -76.73 -30.68 56.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.611 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 12.2 t80 -85.66 -45.0 12.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 6.4 tp -53.91 -18.2 3.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.49 -59.85 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.79 85.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -61.48 -20.75 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -88.64 -28.82 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -23.14 61.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.866 HD12 HG12 ' A' ' 83' ' ' ILE . 38.8 mt -83.64 -159.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.88 80.32 10.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.93 4.07 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.76 -154.18 13.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.562 1.164 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -66.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 p -132.49 8.04 4.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 0.0 109.996 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 168.2 115.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 14.4 t80 -89.75 -64.55 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.391 1.057 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 41' ' ' PHE . 24.9 m-20 -167.5 63.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -66.68 -8.52 28.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -67.38 -56.78 8.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.17 -11.41 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 46' ' ' LEU . 1.1 tt -88.8 -41.13 12.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -65.21 -38.91 91.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' PHE . 35.9 ptt180 -64.9 -35.17 80.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.553 ' CD2' HG11 ' A' ' 80' ' ' VAL . 15.1 t80 -63.1 -44.11 96.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.969 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 10.8 mt -68.64 -49.51 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -58.24 -27.48 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.405 1.066 . . . . 0.0 109.366 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.774 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 tt -66.31 -52.86 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.677 ' HA ' HD22 ' A' ' 71' ' ' LEU . . . -59.99 -31.48 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.2 tp -53.02 -29.52 29.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -10.14 47.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.124 HG22 ' CG2' ' A' ' 58' ' ' ILE . 2.8 m -125.58 85.75 58.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 53.82 3.46 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.527 1.804 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.124 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -115.86 -20.78 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.815 ' HB3' HD22 ' A' ' 67' ' ' LEU . 23.2 p-90 -96.97 -20.64 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -72.3 -51.45 20.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.368 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -49.08 -59.47 6.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.01 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 23' ' ' HIS . 2.6 tp 37.48 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -163.0 114.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.889 ' CE1' HD12 ' A' ' 68' ' ' LEU . 13.2 t80 -69.18 -4.57 18.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.024 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -91.89 -17.65 24.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.889 HD12 ' CE1' ' A' ' 65' ' ' TYR . 4.6 mt -62.32 -59.94 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -22.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 t -73.77 -46.11 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.04 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -55.34 -41.86 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.775 HD11 HD12 ' A' ' 84' ' ' ILE . 5.1 mt -38.82 99.24 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.01 91.92 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER 67.74 149.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.363 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.67 117.56 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.41 160.54 31.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.29 -175.25 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.65 19.52 20.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 0.74 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.843 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.0 OUTLIER -60.7 -47.3 93.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.751 HG22 HD13 ' A' ' 72' ' ' ILE . 20.5 t -65.49 -38.28 82.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.632 1.208 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -57.63 -16.41 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.866 HG12 HD12 ' A' ' 34' ' ' LEU . 7.1 mt -91.94 -18.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.775 HD12 HD11 ' A' ' 72' ' ' ILE . 10.9 mt -94.9 -49.44 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 20.2 p-10 -48.83 -24.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.848 ' CD1' HD21 ' A' ' 34' ' ' LEU . 25.6 mt -75.3 -40.65 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.538 HD12 ' CE2' ' A' ' 65' ' ' TYR . 24.6 mt -63.41 -40.83 98.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 5.8 t -68.71 -48.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -3.02 37.09 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' ILE . 4.6 p-10 -53.71 -23.48 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 0.8 OUTLIER 179.57 63.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 88' ' ' VAL . 83.0 t -144.33 -58.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m 44.76 88.79 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 171.82 17.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.54 1.811 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.4 p -145.76 -47.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.048 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -41.96 -54.62 6.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 18.2 Cg_endo -74.97 -36.79 2.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 49.22 60.89 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.058 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -72.86 163.49 67.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -75.02 69.71 5.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.665 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 20.9 t -76.7 -42.96 3.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.03 -76.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 102' ' ' PRO . 1.2 t -36.9 97.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.94 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.739 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -128.14 31.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 m -46.03 150.46 1.05 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.5 ' O ' HG22 ' A' ' 109' ' ' THR . 18.5 Cg_endo -75.01 142.61 28.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 109' ' ' THR . 73.2 p 38.86 -154.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 107' ' ' PRO . 13.5 t 41.94 -163.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.48 HG23 HG23 ' A' ' 109' ' ' THR . 12.4 p 40.51 70.17 1.63 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 110.393 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.35 18.48 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.521 1.801 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.566 1.824 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.63 30.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 18.2 Cg_endo -75.0 156.46 42.98 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 115' ' ' PRO . 18.3 Cg_endo -74.98 155.16 43.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.71 10.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.4 m -68.32 157.77 86.66 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 121' ' ' ALA . 18.7 Cg_endo -74.93 64.98 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 64.78 -75.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 119' ' ' PRO . . . -175.81 -59.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 70.51 -63.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.528 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 123' ' ' VAL . 23.6 m -117.52 87.42 25.53 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 155.23 43.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.24 42.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.425 ' HB2' ' HA ' ' A' ' 130' ' ' PRO . 18.2 Cg_endo -74.96 55.82 4.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.578 1.831 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 129' ' ' GLU . 3.8 p90 -72.08 172.96 9.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 52.6 t 63.78 -79.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -114.22 92.06 25.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 126' ' ' PRO . 18.2 Cg_endo -75.1 156.96 42.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 77.7 p 44.13 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.059 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.7 t -172.65 138.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.39 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 11.6 p 38.87 -153.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 64.68 157.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.57 167.5 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.041 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.405 ' NE2' ' O ' ' A' ' 3' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttp 178.73 139.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.33 -61.12 4.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.405 ' O ' ' NE2' ' A' ' 0' ' ' HIS . 0.0 OUTLIER -67.38 138.17 56.52 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 0.787 . . . . 0.0 110.246 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 4' ' ' ILE . 53.4 mt -121.37 73.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.554 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -178.19 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.547 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.91 65.21 2.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 5' ' ' HIS . 1.9 pp -117.94 -45.29 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.6 p -117.4 150.21 46.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.93 ' O ' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 179.09 6.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.93 HG22 ' O ' ' A' ' 9' ' ' PRO . 5.5 t 58.14 145.7 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.378 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 10' ' ' THR . 18.4 Cg_endo -75.0 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.61 HG12 ' HB2' ' A' ' 15' ' ' ALA . 14.0 tt -150.67 74.59 8.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 0.21 9.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 0.0 111.003 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -15.93 25.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.847 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . -65.13 -54.58 32.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.39 1.056 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.847 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.468 1.773 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.494 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 4.0 tpt180 56.48 93.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.32 -94.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 20' ' ' SER . 6.3 tp -104.34 105.51 15.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.494 ' OG ' ' CZ ' ' A' ' 17' ' ' ARG . 2.0 t 162.38 115.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' HIS . 4.9 m 57.77 160.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.458 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 68.92 -67.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 25.8 m80 -77.29 -43.65 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.605 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.628 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 52.1 t-105 -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 107.965 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.4 tp -53.52 -26.64 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' O ' HD21 ' A' ' 87' ' ' LEU . 58.1 t30 -73.01 -23.54 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.955 ' CE1' HD21 ' A' ' 46' ' ' LEU . 2.6 t80 -95.29 -40.27 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.065 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.62 -30.33 71.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -71.45 -51.77 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.53 ' HB2' HD21 ' A' ' 87' ' ' LEU . . . -59.31 -44.74 92.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -60.07 -24.95 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -23.91 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -11.89 60.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.025 HD21 HD11 ' A' ' 86' ' ' ILE . 16.7 mt -100.54 -160.69 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER 168.91 -54.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 35' ' ' GLN . 18.1 Cg_endo -75.01 122.43 7.2 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.76 152.55 6.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.0 Cg_endo -75.04 -89.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 8.7 p 68.8 -64.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' N ' ' OG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER 159.9 -72.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 41' ' ' PHE . 78.5 t80 -141.27 14.48 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 2.4 m-20 65.34 50.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 42' ' ' ASP . 1.3 m-85 171.1 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -65.75 -54.38 27.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.53 -20.38 55.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.955 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -82.58 -56.25 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -20.7 18.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 4.91 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.893 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 15.1 t80 -117.36 -38.48 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 46' ' ' LEU . 7.3 mt -68.83 -54.53 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -27.63 49.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.694 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 tt -65.98 -51.98 53.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.681 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.86 -29.74 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.8 tp -64.43 -12.43 43.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -75.7 -2.8 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 56' ' ' THR . 14.7 t -150.04 95.8 3.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.519 1.799 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.87 -22.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.708 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.8 p-90 -95.81 -21.96 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -71.35 -51.39 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.645 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.85 -59.42 5.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -74.97 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.3 tp 35.79 89.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -169.6 112.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.588 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 1.3 t80 -64.23 -9.89 20.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -60.13 -18.91 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.0 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -92.56 -17.89 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.681 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.9 mt -69.67 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.437 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -51.14 -22.03 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -74.89 -36.17 62.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.071 . . . . 0.0 109.951 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.55 -41.98 77.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.893 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 36.1 mt -65.67 126.11 91.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.97 47.75 1.82 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.429 1.752 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 22.92 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.72 -7.52 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.487 1.117 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.641 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -44.01 166.1 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.369 0.688 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 -172.23 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.93 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 23.78 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.853 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -57.86 -44.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.75 HG22 HG21 ' A' ' 72' ' ' ILE . 9.2 t -63.83 -39.39 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -27.09 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 80' ' ' VAL . 11.5 mt -77.62 -28.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.608 HG12 ' CE2' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.9 -38.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -52.81 -26.6 14.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.025 HD11 HD21 ' A' ' 34' ' ' LEU . 18.9 mt -75.79 -36.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 30' ' ' ALA . 10.4 mt -76.18 -42.9 44.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.928 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.9 t -59.79 -47.13 92.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -16.61 32.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -96.52 -14.33 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -129.86 42.1 3.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.928 HG13 ' O ' ' A' ' 88' ' ' VAL . 1.7 m -103.88 -39.18 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -56.04 -54.32 53.71 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.2 Cg_endo -75.08 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.06 -60.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.837 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -43.0 -54.36 9.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.837 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 18.2 Cg_endo -75.03 164.99 32.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.74 94.71 10.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.75 70.04 81.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 1.5 t -76.83 -46.92 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -74.94 166.61 28.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.442 1.759 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.02 154.37 24.19 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.17 3.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.6 tp -52.32 -38.39 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 22.1 m -44.77 118.5 3.48 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 108.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.91 4.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.551 1.816 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 108' ' ' THR . 71.8 p -40.44 -51.61 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.4 p -141.07 128.36 21.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.758 HG23 ' HD2' ' A' ' 111' ' ' PRO . 2.5 m 63.14 146.67 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.463 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.758 ' HD2' HG23 ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.07 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.2 16.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.444 1.76 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.57 3.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 113.57 3.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 155.91 42.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 165.7 30.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 58.62 4.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.455 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.0 OUTLIER -78.02 -54.08 1.34 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.4 Cg_endo -74.94 66.74 5.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.6 69.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.436 ' C ' ' CG ' ' A' ' 122' ' ' HIS . . . 63.36 143.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.436 ' CG ' ' C ' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -176.26 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.631 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.2 p 40.6 86.87 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.56 28.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.43 1.753 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.08 42.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -38.94 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -91.93 157.66 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 128' ' ' VAL . 32.7 m -143.81 92.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 0.0 OUTLIER -78.05 -52.09 1.59 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.2 Cg_endo -75.04 55.75 4.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' PRO . 1.5 t 38.47 49.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.525 ' OG1' HG21 ' A' ' 128' ' ' VAL . 53.0 m 50.41 -102.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 72.5 p -46.47 128.11 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 38.89 -157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.52 160.64 25.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 54.4 t60 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.5 55.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.71 54.21 0.04 OUTLIER Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.74 157.03 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 0.801 . . . . 0.0 110.357 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.6 mm -143.26 -73.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.432 ' CG ' ' N ' ' A' ' 6' ' ' GLY . 18.0 p-80 -130.67 -56.08 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.432 ' N ' ' CG ' ' A' ' 5' ' ' HIS . . . -151.47 67.19 0.34 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.562 ' C ' HD12 ' A' ' 7' ' ' LEU . 2.4 pp -155.98 176.84 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.458 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 168.3 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.002 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.4 Cg_endo -75.01 -179.66 5.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.08 154.41 43.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.389 1.731 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 61' ' ' ASN . 2.1 pp -138.85 154.55 72.93 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.28 27.4 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.61 95.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HA ' ' NH2' ' A' ' 17' ' ' ARG . . . 39.92 88.9 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.07 -18.16 18.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.447 1.761 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -63.65 77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -136.6 152.86 21.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD12 HD11 ' A' ' 60' ' ' LEU . 0.1 OUTLIER 53.88 -169.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.26 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.608 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 2.3 t 93.98 -65.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -163.69 -47.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.414 ' NE2' ' O ' ' A' ' 19' ' ' LEU . 1.5 p-80 -54.06 -17.62 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.614 1.196 . . . . 0.0 109.591 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.608 ' NE2' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -114.64 -41.83 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.549 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.75 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 49.8 t-105 -64.23 -43.14 95.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 25' ' ' LEU . 10.9 tp -52.56 -34.46 50.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.718 ' O ' HD21 ' A' ' 87' ' ' LEU . 14.8 t-20 -64.83 -19.47 65.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.163 ' CE2' HD21 ' A' ' 46' ' ' LEU . 2.6 t80 -103.4 -40.17 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 15.9 tp -61.86 -26.7 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.06 -55.7 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.1 72.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -35.57 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -75.96 -19.37 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -5.68 59.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.913 HD21 HD11 ' A' ' 86' ' ' ILE . 26.8 mt -99.13 -108.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 40.76 76.36 0.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.5 3.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.426 1.75 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.51 -86.24 0.43 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 127.03 10.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.558 1.82 . . . . 0.0 111.008 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 87.3 p -112.4 -72.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.541 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 0.4 OUTLIER 74.4 -68.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 6.5 m-85 -156.2 -75.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 7.8 t0 68.46 31.73 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -116.49 -16.03 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.89 -53.25 22.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.4 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -63.97 -10.63 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.163 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -94.75 -56.07 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -20.87 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' CD ' ' HA ' ' A' ' 45' ' ' GLN . 8.5 ptm180 -87.45 -15.72 36.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 72' ' ' ILE . 6.7 t80 -98.87 -34.37 10.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.75 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 7.5 mt -69.52 -53.28 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -55.35 -27.11 45.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -66.69 -51.94 50.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.67 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -61.39 -32.51 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -63.94 -11.94 32.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 ptpt -77.47 -3.47 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 56' ' ' THR . 14.9 t -147.95 94.98 4.24 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 66.69 6.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.859 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.39 -22.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 67' ' ' LEU . 17.9 p-90 -95.59 -20.63 18.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.685 HD11 HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -73.43 -49.93 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.638 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -48.76 -58.96 7.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.638 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.07 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 35.45 89.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.77 111.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.627 ' OH ' ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -63.11 -10.59 15.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.7 p -58.44 -20.65 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -93.63 -18.03 22.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.9 mt -67.58 -61.36 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -78.54 -39.62 37.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.768 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -55.91 -43.79 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.708 HD13 HG22 ' A' ' 81' ' ' VAL . 4.5 mt -37.42 97.95 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.1 Cg_endo -75.04 109.69 2.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.373 1.723 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLY . 4.7 mmmm 68.76 119.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -33.58 117.91 0.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.33 170.32 10.43 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 0.768 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -55.59 172.41 1.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 9.9 mtt85 80.86 1.22 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.438 0.728 . . . . 0.0 110.228 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 81' ' ' VAL . 26.6 t -136.55 -83.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 72' ' ' ILE . 6.3 t -57.71 -39.19 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.55 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -56.43 -21.74 27.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 34' ' ' LEU . 9.0 mt -89.24 -37.12 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.599 HG12 ' CE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -75.61 -33.84 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -54.87 -36.91 65.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.913 HD11 HD21 ' A' ' 34' ' ' LEU . 12.7 mt -64.06 -46.34 94.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.718 HD21 ' O ' ' A' ' 26' ' ' ASN . 26.4 mt -62.88 -42.61 99.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.6 t -65.15 -52.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -68.12 -9.19 44.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 10.3 t-20 -57.77 -42.12 83.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.711 ' O ' HG12 ' A' ' 92' ' ' VAL . 0.3 OUTLIER 173.27 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.711 HG12 ' O ' ' A' ' 91' ' ' GLN . 9.7 p 49.97 23.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m -150.48 86.98 4.95 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.473 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.3 Cg_endo -74.87 -167.94 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.541 1.811 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 2.7 t 84.56 -70.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 109.973 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -156.4 92.16 2.53 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' CB ' ' OD1' ' A' ' 90' ' ' ASN . 18.2 Cg_endo -75.01 -58.03 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 101' ' ' VAL . . . 47.46 54.8 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.837 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . -76.5 -54.07 1.9 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.837 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.4 Cg_endo -74.96 -42.79 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.542 1.812 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.516 ' O ' ' HB1' ' A' ' 98' ' ' ALA . 2.4 p -115.12 90.97 25.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -56.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.5 155.46 37.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' ILE . 18.6 Cg_endo -74.91 157.34 43.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -39.54 148.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.4 t -43.3 136.36 3.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.9 4.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 p 38.81 -153.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -138.2 62.39 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 110' ' ' THR . 3.0 m -154.33 74.34 6.04 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 156.51 43.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.436 1.756 . . . . 0.0 111.046 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 155.59 42.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.56 1.821 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 113.57 3.82 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.408 1.741 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.53 42.95 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.546 1.814 . . . . 0.0 111.046 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 118' ' ' SER . 18.2 Cg_endo -75.01 -176.75 3.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER 163.02 -52.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.01 -42.69 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.558 1.82 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.73 168.03 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' VAL . . . -88.23 -61.07 1.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.3 m170 66.61 -73.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.536 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' ALA . 20.2 m -143.5 154.77 60.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.75 38.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.809 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 155.46 43.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -54.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.552 1.817 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.522 ' CD1' ' CG ' ' A' ' 130' ' ' PRO . 1.4 m-85 -149.13 149.31 30.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 88.0 t -136.07 -56.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 1.8 mm-40 -39.04 -52.72 3.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.618 ' O ' HG22 ' A' ' 131' ' ' THR . 18.4 Cg_endo -75.04 -72.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.467 1.772 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 130' ' ' PRO . 14.0 t 46.79 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 67.5 p -84.54 101.58 12.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 22.8 m 51.62 85.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.378 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -45.45 -59.42 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 110.323 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.2 160.91 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.253 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 22' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.566 ' N ' HG22 ' A' ' 21' ' ' THR . 13.8 m80 -43.12 -27.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' N ' ' C ' ' A' ' 21' ' ' THR . 2.6 m-70 -69.13 -57.12 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.659 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.7 t-105 -67.49 -43.6 80.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.992 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -52.13 -36.1 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.559 ' O ' HD21 ' A' ' 87' ' ' LEU . 12.0 t-20 -60.98 -23.49 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.847 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -97.18 -32.53 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 7.4 tp -76.54 -33.69 58.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.25 -50.9 71.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -61.13 -43.01 99.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.84 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -75.86 -19.6 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -78.49 -29.54 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 86' ' ' ILE . 60.2 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.526 0.203 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 17.5 pt20 -64.22 -52.19 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -62.11 -17.0 56.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.847 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -85.3 -56.01 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.99 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -35.38 75.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CE1' HG12 ' A' ' 72' ' ' ILE . 24.5 t80 -84.46 -37.97 20.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.659 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 9.8 mt -65.76 -49.5 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.29 -30.17 68.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.702 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -64.48 -51.26 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.649 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -62.1 -30.66 71.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -53.52 -29.01 34.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -10.45 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.115 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.7 m -121.61 83.7 41.98 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.41 1.069 . . . . 0.0 110.4 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.82 3.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.115 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -118.4 -21.12 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 28.2 p-90 -96.09 -22.41 17.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -68.69 -53.96 19.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.647 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.45 -59.59 5.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.0 -10.19 21.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.4 tp 36.91 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.91 115.26 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.602 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 3.5 t80 -61.25 -12.6 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.5 p -60.34 -24.75 65.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.022 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -92.24 -18.41 23.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 65' ' ' TYR . 5.6 mt -65.1 -61.07 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.94 -20.92 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -45.41 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.672 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.19 -31.24 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.845 HD13 HG22 ' A' ' 81' ' ' VAL . 12.0 mt -58.54 119.74 38.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.6 Cg_endo -74.93 48.53 2.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.779 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 24.69 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.368 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.72 -3.97 5.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.554 1.158 . . . . 0.0 111.027 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.631 ' HB2' HG23 ' A' ' 72' ' ' ILE . 33.1 t80 -37.2 148.53 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.94 -168.56 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.423 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . . . 54.18 176.56 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -99.13 17.94 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.311 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.627 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -59.55 -46.56 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.845 HG22 HD13 ' A' ' 72' ' ' ILE . 34.0 t -63.49 -39.64 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -55.4 -27.09 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.242 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.825 HG12 HD12 ' A' ' 34' ' ' LEU . 6.6 mt -85.93 -39.37 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.228 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.658 HD12 HD11 ' A' ' 72' ' ' ILE . 60.5 mt -70.0 -37.51 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -53.29 -29.39 33.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 34' ' ' LEU . 13.5 mt -70.75 -22.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.559 HD21 ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -86.75 -43.31 12.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -63.46 -48.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -22.14 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.411 ' N ' HG22 ' A' ' 21' ' ' THR . 35.3 t60 -41.23 -40.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.607 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.467 ' CE1' ' H ' ' A' ' 65' ' ' TYR . 5.3 m-70 -62.54 -48.01 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.718 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 27.7 t-105 -68.26 -43.0 78.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.4 tp -52.76 -35.91 57.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.752 ' ND2' HD13 ' A' ' 87' ' ' LEU . 50.4 t30 -64.16 -18.46 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CZ ' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -101.76 -34.52 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.77 -24.11 60.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.19 -59.56 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.51 63.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -68.85 -40.72 79.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -10.01 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.3 -3.35 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 86' ' ' ILE . 5.5 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.542 0.211 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.66 -52.14 48.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -4.38 25.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -99.4 -39.28 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -67.49 -10.89 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 2.7 ptm85 -83.06 -41.76 18.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 1.085 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 54.0 t80 -66.48 -34.77 78.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.718 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 21.4 mt -69.77 -56.35 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -26.56 35.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.663 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.4 tt -67.34 -54.66 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.03 -30.58 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.2 tp -62.38 -14.0 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -74.22 -3.72 31.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 56' ' ' THR . 14.0 t -149.87 95.59 3.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 67.2 6.02 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.447 1.761 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.849 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.3 -22.26 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.843 ' HB3' HD22 ' A' ' 67' ' ' LEU . 12.8 p-90 -94.62 -20.55 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -69.99 -56.67 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -44.41 -59.36 3.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -74.95 -14.42 21.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.8 tp 38.24 89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.03 115.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.734 ' OH ' HG23 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.27 -11.85 11.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -17.95 63.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.982 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.86 -17.48 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.51 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.2 mt -66.74 -61.74 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.73 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -66.02 -39.55 90.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.32 -15.29 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.085 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 2.1 mt -117.29 80.24 12.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.31 3.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.22 40.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.97 1.49 5.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.556 ' O ' HG21 ' A' ' 81' ' ' VAL . 6.7 t80 -152.34 70.18 7.5 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.447 0.734 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.691 ' HA ' HG21 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.95 171.3 18.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 159.86 -171.04 36.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -57.03 -31.84 65.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.544 0.791 . . . . 0.0 110.24 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 81' ' ' VAL . 1.2 t -70.53 -58.22 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.814 HG22 HD13 ' A' ' 72' ' ' ILE . 7.1 t -56.3 -39.25 59.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.01 -39.6 78.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.929 HG12 HD12 ' A' ' 34' ' ' LEU . 12.0 mt -70.66 -31.3 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.734 HG23 ' OH ' ' A' ' 65' ' ' TYR . 8.9 mt -80.99 -28.25 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.245 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' VAL . 1.1 m120 -63.02 -37.42 87.1 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 34' ' ' LEU . 13.6 mt -60.04 -37.21 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.752 HD13 ' ND2' ' A' ' 26' ' ' ASN . 29.1 mt -63.77 -43.9 95.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.69 -50.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -32.4 63.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.8 t30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -60.76 -40.7 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -61.16 -45.43 94.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.64 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.9 t-105 -70.82 -43.61 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.039 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.5 tp -52.54 -31.08 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.728 ' OD1' HD22 ' A' ' 87' ' ' LEU . 39.7 t30 -68.1 -24.91 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.84 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -94.03 -34.27 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.909 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 18.3 tp -75.13 -13.93 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' TYR . 23.7 mt-30 -82.76 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' C ' HG23 ' A' ' 83' ' ' ILE . . . -51.39 -32.45 26.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -70.05 -31.63 69.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.562 1.164 . . . . 0.0 109.367 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -80.99 -18.51 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -7.84 59.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 86' ' ' ILE . 72.2 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.477 0.179 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -55.36 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -18.28 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.84 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.33 -57.57 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.2 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -50.66 9.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.5 t80 -61.32 -38.72 87.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.64 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 12.1 mt -65.59 -53.19 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -26.52 62.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.722 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -70.3 -54.51 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -60.99 -30.81 70.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -53.28 -30.41 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -8.29 45.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.111 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.5 m -123.87 83.56 54.81 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 53.58 3.39 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.564 1.823 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.111 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.6 -21.28 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.873 ' HB3' HD22 ' A' ' 67' ' ' LEU . 25.3 p-90 -96.28 -23.43 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -67.73 -54.53 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.663 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -47.23 -60.37 4.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -74.98 -10.25 21.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 36.98 88.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -157.1 117.68 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.498 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -64.51 -9.83 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -33.42 76.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.033 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -83.92 -17.59 40.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.6 mt -65.73 -61.44 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.83 -19.48 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -73.6 -45.46 52.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.5 -34.38 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.749 HG23 ' HB2' ' A' ' 76' ' ' TYR . 18.7 mt -52.7 118.4 13.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -75.04 48.56 2.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 73' ' ' PRO . 7.0 tptp 27.3 89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.76 -2.02 5.6 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.749 ' HB2' HG23 ' A' ' 72' ' ' ILE . 44.1 t80 -35.93 148.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.596 0.821 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.544 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.9 -173.8 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 21.7 13.5 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -58.6 -42.83 85.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.612 HG22 HD13 ' A' ' 72' ' ' ILE . 16.7 t -69.41 -39.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -57.53 -30.23 65.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.741 HG12 HD12 ' A' ' 34' ' ' LEU . 6.8 mt -82.52 -52.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.71 HD12 HD11 ' A' ' 72' ' ' ILE . 62.3 mt -61.95 -28.91 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.54 HD21 ' NZ ' ' A' ' 89' ' ' LYS . 12.6 t30 -59.89 -33.97 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 34' ' ' LEU . 7.4 mt -63.96 -34.19 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.728 HD22 ' OD1' ' A' ' 26' ' ' ASN . 20.0 mt -72.4 -43.52 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.0 t -70.25 -49.32 55.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.54 ' NZ ' HD21 ' A' ' 85' ' ' ASN . 0.0 OUTLIER -54.26 -20.75 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -59.34 -49.33 78.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' C ' ' ND1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -59.85 -43.21 94.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.573 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.451 ' CZ3' HD22 ' A' ' 46' ' ' LEU . 26.6 t-105 -67.18 -44.22 80.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.16 -34.86 46.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.655 ' O ' HD21 ' A' ' 87' ' ' LEU . 63.4 t30 -64.99 -20.01 66.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.201 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.81 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -97.61 -34.88 10.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 14.0 tp -73.99 -26.58 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.58 -55.57 12.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.498 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -56.37 -42.37 77.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.604 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -60.05 -36.5 77.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -76.37 -16.29 59.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -83.92 -17.61 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.037 HD21 HD11 ' A' ' 86' ' ' ILE . 27.0 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.495 0.188 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.458 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 1.7 pp0? -62.92 -48.53 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.458 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 13.8 pm0 -67.43 -24.54 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.81 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -78.55 -54.9 5.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -52.67 -20.17 2.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -35.11 41.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.8 t80 -83.37 -33.63 25.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 6.9 mt -69.24 -51.84 33.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -26.85 46.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.73 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -68.19 -53.2 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -61.13 -31.71 71.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -53.07 -32.21 45.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -9.98 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.102 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.7 m -121.44 82.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.4 3.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.102 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.88 -21.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.857 ' HB3' HD22 ' A' ' 67' ' ' LEU . 25.7 p-90 -95.88 -23.25 16.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.582 1.176 . . . . 0.0 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -68.18 -54.3 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.15 -60.17 4.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.6 Cg_endo -74.94 -9.88 21.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.0 tp 36.62 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -160.47 115.62 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.7 t80 -62.28 -12.09 18.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 t -62.04 -24.42 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.007 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -91.93 -18.34 23.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.489 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.1 mt -64.8 -61.07 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.34 -20.2 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -74.35 -43.08 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.639 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.76 -40.87 69.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.662 HD13 HG22 ' A' ' 81' ' ' VAL . 14.1 mt -49.52 105.65 0.53 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.93 108.01 2.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.423 1.749 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.6 tttm 38.38 62.18 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.23 155.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.723 ' H ' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.86 170.97 8.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.541 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.6 Cg_endo -74.92 -167.8 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.95 -169.91 0.11 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.28 17.86 21.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.236 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.654 HG22 ' HG ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -61.52 -48.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.723 HG21 ' H ' ' A' ' 76' ' ' TYR . 38.3 t -66.53 -38.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.9 -33.65 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.84 HG12 HD12 ' A' ' 34' ' ' LEU . 7.1 mt -77.65 -19.13 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.632 HD12 HD11 ' A' ' 72' ' ' ILE . 71.1 mt -89.21 -37.2 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -54.01 -29.33 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.037 HD11 HD21 ' A' ' 34' ' ' LEU . 13.1 mt -68.96 -30.58 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.655 HD21 ' O ' ' A' ' 26' ' ' ASN . 19.3 mt -74.95 -43.86 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -64.28 -50.55 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -55.21 -24.78 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -60.76 -49.32 77.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -58.54 -41.38 85.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.558 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.485 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 32.7 t-105 -70.56 -43.94 68.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 25' ' ' LEU . 4.9 tp -52.79 -29.59 28.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.658 ' O ' HD21 ' A' ' 87' ' ' LEU . 50.2 t30 -67.73 -24.4 65.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.371 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 46' ' ' LEU . 1.4 t80 -95.46 -36.88 11.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 12.0 tp -69.17 -25.53 64.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -69.62 -57.81 4.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.516 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . . . -56.69 -36.88 70.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -64.56 -36.51 84.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.171 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -74.19 -16.25 60.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.943 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -10.99 51.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.069 HD21 HD11 ' A' ' 86' ' ' ILE . 25.0 mt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.536 0.208 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.73 -56.72 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.42 ' HG3' ' NH1' ' A' ' 79' ' ' ARG . 1.6 mm-40 -59.47 -18.2 37.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.82 -56.47 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -53.73 -21.19 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -72.92 -36.71 67.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CZ ' HG13 ' A' ' 72' ' ' ILE . 27.9 t80 -83.84 -34.44 24.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD11 HD22 ' A' ' 46' ' ' LEU . 7.7 mt -69.87 -56.36 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -28.89 54.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.611 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -65.28 -52.19 55.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.671 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -56.86 -32.34 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.0 tp -62.38 -13.86 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -74.87 -3.22 30.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 56' ' ' THR . 13.6 t -151.15 96.36 3.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 67.73 5.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.758 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -118.62 -21.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.1 p-90 -96.23 -20.49 18.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -70.54 -56.59 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -44.85 -59.18 4.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.04 -14.26 21.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 63' ' ' ILE . 4.2 tp 39.15 91.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -166.3 113.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.84 -14.03 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.5 p -59.57 -23.91 63.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.966 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.004 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -91.22 -17.86 25.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.474 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.6 mt -68.11 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -20.96 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 t -76.01 -37.85 57.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.62 -42.01 78.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.899 HD13 HG22 ' A' ' 81' ' ' VAL . 62.1 mt -51.28 123.74 21.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.494 1.787 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 20.38 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.228 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.04 -10.64 2.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -45.68 160.19 0.28 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 0.718 . . . . 0.0 111.029 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -61.74 177.35 5.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.631 ' C ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER 83.11 -5.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 81' ' ' VAL . 23.1 t -131.46 -82.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.899 HG22 HD13 ' A' ' 72' ' ' ILE . 5.8 t -57.19 -38.97 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.28 -17.66 8.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.777 HG12 HD12 ' A' ' 34' ' ' LEU . 5.2 mt -102.12 -37.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.729 HD11 ' HE2' ' A' ' 27' ' ' PHE . 4.0 mt -70.9 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 44.4 p-10 -52.92 -23.63 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.069 HD11 HD21 ' A' ' 34' ' ' LEU . 25.9 mt -77.84 -33.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 26' ' ' ASN . 25.5 mt -69.26 -42.72 75.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.54 -50.08 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -55.39 -30.38 60.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -51.15 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -59.11 -41.81 89.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 45.0 t-105 -67.8 -43.68 79.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 25' ' ' LEU . 5.1 tp -52.96 -30.83 37.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.708 ' O ' HD21 ' A' ' 87' ' ' LEU . 11.3 t-20 -67.93 -19.14 64.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.848 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -97.44 -33.44 11.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.6 tp -77.27 -26.9 52.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.49 -56.36 7.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB2' HD21 ' A' ' 87' ' ' LEU . . . -54.49 -36.79 64.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -70.34 -26.98 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.96 -17.77 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -25.32 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.848 HD21 HD11 ' A' ' 86' ' ' ILE . 26.9 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.463 0.173 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -52.66 56.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.483 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -61.69 -12.4 16.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.848 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -90.89 -54.93 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -56.92 -24.87 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 8.2 ptm180 -84.49 -42.29 15.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 34.2 t80 -60.53 -39.01 86.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 12.7 mt -70.15 -54.46 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.02 60.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.576 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.8 tt -67.12 -53.98 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.656 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.92 -31.77 63.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.0 tp -62.54 -13.66 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.14 -4.51 33.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 56' ' ' THR . 13.5 t -150.2 96.45 3.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 67.99 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.427 1.751 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.853 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.41 -22.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.824 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.0 p-90 -94.7 -23.14 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.01 -55.28 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.65 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.92 -59.93 3.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.04 -11.02 21.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.514 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.7 tp 37.83 89.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.56 115.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.605 ' CD2' HD12 ' A' ' 68' ' ' LEU . 9.6 t80 -61.74 -11.8 13.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -60.67 -22.56 64.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.4 tt -92.07 -17.19 25.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.605 HD12 ' CD2' ' A' ' 65' ' ' TYR . 4.9 mt -69.94 -62.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.15 -21.48 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -71.08 -38.59 72.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.559 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.33 -41.82 85.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.839 HD11 HD12 ' A' ' 84' ' ' ILE . 6.4 mt -54.74 112.24 3.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.96 48.2 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.8 OUTLIER 29.43 89.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.197 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.46 -3.24 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.783 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -37.53 154.75 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.59 -172.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.531 ' O ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -100.64 20.0 15.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -57.01 -42.89 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.562 HG22 HD13 ' A' ' 72' ' ' ILE . 8.6 t -74.85 -38.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -58.55 -15.39 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.773 HG21 ' HB2' ' A' ' 31' ' ' ALA . 4.4 mt -101.73 -45.73 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.438 1.087 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.839 HD12 HD11 ' A' ' 72' ' ' ILE . 86.0 mt -67.27 -34.23 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 28.4 p-10 -55.85 -25.65 43.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.848 HD11 HD21 ' A' ' 34' ' ' LEU . 13.5 mt -73.47 -30.52 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.708 HD21 ' O ' ' A' ' 26' ' ' ASN . 18.8 mt -74.12 -44.32 54.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.64 -49.87 80.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -14.83 62.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.83 -13.26 31.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.524 ' CG ' HD11 ' A' ' 63' ' ' ILE . 49.3 m80 -102.68 -38.83 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.834 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 24.2 t-105 -72.79 -43.72 62.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.054 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 9.3 tp -53.27 -29.24 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.894 ' OD1' HD13 ' A' ' 87' ' ' LEU . 18.3 t-20 -67.91 -20.98 65.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.17 ' CE1' HD21 ' A' ' 46' ' ' LEU . 1.5 t80 -100.77 -35.91 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 12.3 tp -69.26 -30.82 69.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.84 -48.64 79.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -63.31 -45.2 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.703 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -19.57 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -79.79 -22.37 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.818 HD21 HD11 ' A' ' 86' ' ' ILE . 8.9 mt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.462 0.172 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -85.88 -59.11 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -16.94 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.17 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -82.21 -54.7 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.11 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.224 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -69.9 -48.79 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 32.7 t80 -66.49 -36.74 83.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.834 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 16.6 mt -70.39 -58.81 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -26.09 38.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -69.45 -55.47 10.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.64 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -56.09 -31.3 63.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.6 tp -62.79 -13.94 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.39 -7.06 40.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 56' ' ' THR . 12.4 t -150.55 97.51 3.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 68.64 5.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.868 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -118.99 -21.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.842 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.1 p-90 -95.25 -22.23 17.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.24 -56.33 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.81 -59.92 3.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -74.94 -13.19 21.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.379 1.726 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.524 HD11 ' CG ' ' A' ' 23' ' ' HIS . 2.6 tp 38.24 88.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -160.01 116.89 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.614 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 7.1 t80 -62.38 -11.47 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -25.18 68.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.988 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -90.77 -18.65 24.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.525 ' HA ' HD23 ' A' ' 68' ' ' LEU . 4.8 mt -67.67 -61.79 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.61 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -73.54 -25.72 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -74.18 -0.98 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.847 HG21 HG22 ' A' ' 81' ' ' VAL . 10.3 mt -117.21 79.3 11.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.444 ' HD2' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 99.35 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER 77.0 151.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.84 116.94 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -93.77 -178.27 0.81 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.98 179.73 5.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.829 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.36 -170.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.448 ' NE ' ' OE2' ' A' ' 82' ' ' GLU . 10.6 mtt180 -101.61 20.83 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.602 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -58.17 -44.89 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.847 HG22 HG21 ' A' ' 72' ' ' ILE . 54.9 t -66.94 -39.47 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 79' ' ' ARG . 1.4 mt-10 -54.95 -29.14 55.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.703 HG23 ' N ' ' A' ' 31' ' ' ALA . 9.7 mt -80.79 -17.96 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.607 HD12 HD12 ' A' ' 72' ' ' ILE . 28.3 mt -96.72 -37.75 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -55.35 -28.66 55.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.818 HD11 HD21 ' A' ' 34' ' ' LEU . 12.1 mt -67.55 -38.07 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.894 HD13 ' OD1' ' A' ' 26' ' ' ASN . 30.4 mt -66.39 -42.98 87.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.6 t -67.74 -48.64 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -3.11 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.2 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.594 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 4.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 88.11 -15.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.569 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -119.62 -51.8 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.596 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.965 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 30.4 t-105 -69.76 -43.2 72.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.179 . . . . 0.0 107.998 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.4 tp -52.36 -35.41 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 87' ' ' LEU . 18.4 t-20 -62.34 -25.81 68.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.651 ' CZ ' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -94.79 -34.28 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 21.8 tp -78.25 -24.3 46.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' LEU . 28.6 mt-30 -70.62 -59.28 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -55.18 -44.4 75.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.06 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -83.67 -18.03 39.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.47 -18.85 28.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.731 HD21 HD13 ' A' ' 86' ' ' ILE . 4.0 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.512 0.196 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -41.96 85.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.84 61.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.897 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -82.74 -56.16 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -52.99 -19.76 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -82.2 -37.05 26.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 32.0 t80 -72.92 -41.51 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.965 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 15.3 mt -68.28 -53.87 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -55.5 -24.75 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.762 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.4 tt -72.0 -59.31 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -53.73 -29.6 40.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -64.26 -11.75 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.85 -0.71 25.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.429 1.08 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 56' ' ' THR . 14.2 t -152.83 95.76 3.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 67.81 5.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.503 1.791 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.861 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.8 -22.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.812 ' HB3' HD22 ' A' ' 67' ' ' LEU . 12.4 p-90 -94.98 -21.71 18.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -70.54 -54.14 13.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.65 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -46.02 -59.49 4.71 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -10.67 21.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.7 tp 37.23 89.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.08 114.47 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.606 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -59.07 -15.16 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -23.78 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.974 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -93.36 -19.13 21.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -69.46 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 -20.52 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -39.69 72.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.02 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.71 -41.29 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.812 HD11 HD12 ' A' ' 84' ' ' ILE . 4.7 mt -55.03 116.21 10.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.95 47.0 1.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 29.02 89.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 131.94 -2.47 5.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.756 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -36.79 155.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 111.041 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.07 -168.95 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.762 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.74 -174.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.34 20.61 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.594 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.0 OUTLIER -59.49 -45.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.615 HG22 HD13 ' A' ' 72' ' ' ILE . 10.1 t -68.25 -39.49 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.89 -23.83 33.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 110.236 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 80' ' ' VAL . 3.9 mt -92.08 -49.22 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 72' ' ' ILE . 72.0 mt -59.85 -43.74 92.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -51.68 -36.85 48.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.208 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.731 HD13 HD21 ' A' ' 34' ' ' LEU . 11.8 mt -67.16 -24.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 26' ' ' ASN . 34.8 mt -74.53 -45.56 44.9 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.416 1.072 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.6 t -63.72 -49.92 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -19.71 10.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' N ' HG22 ' A' ' 21' ' ' THR . 1.7 m80 -41.22 -35.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.601 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -64.17 -50.19 69.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.994 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.8 t-105 -70.16 -43.91 69.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' LEU . 9.2 tp -53.6 -27.68 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.651 ' O ' HD21 ' A' ' 87' ' ' LEU . 18.3 t-20 -71.01 -18.66 62.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.779 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -100.53 -34.19 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.5 tp -74.12 -21.93 59.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.51 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -54.7 -35.76 63.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -71.3 -22.39 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -22.65 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -82.0 -8.06 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 86' ' ' ILE . 89.6 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.478 0.18 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -79.01 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -12.52 24.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.779 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.52 -40.77 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -63.12 -21.84 66.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -71.68 -34.02 69.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 31.1 t80 -73.58 -34.79 65.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.994 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 30.0 mt -70.82 -57.43 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.3 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.676 HD13 ' OH ' ' A' ' 76' ' ' TYR . 3.9 tt -69.0 -56.51 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.653 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -54.62 -30.37 54.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -62.59 -13.75 34.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -74.77 -3.12 29.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 56' ' ' THR . 13.5 t -150.62 95.41 3.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 67.81 5.92 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.87 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.62 -21.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.84 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.5 p-90 -94.91 -22.71 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.96 -55.71 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.657 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -45.64 -60.18 3.7 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.657 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.99 -12.04 21.53 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 110.925 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.8 tp 38.03 89.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.6 117.29 3.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.494 ' CD1' HD12 ' A' ' 68' ' ' LEU . 25.9 t80 -66.06 -7.7 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -70.65 -26.85 63.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.006 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -83.64 -17.91 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.494 HD12 ' CD1' ' A' ' 65' ' ' TYR . 5.8 mt -69.46 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 -20.76 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 t -68.65 -38.51 80.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.41 -44.28 92.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.866 HD11 HD12 ' A' ' 84' ' ' ILE . 3.8 mt -50.31 112.73 2.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 47.87 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 30.11 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.38 -2.22 5.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.736 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -37.21 153.98 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.589 0.817 . . . . 0.0 111.052 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.443 1.759 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.68 -172.95 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 83' ' ' ILE . 53.8 mtp85 -98.5 20.02 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 0.73 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -59.67 -43.93 92.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 10.6 t -72.01 -40.3 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -28.91 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.817 HG12 HD12 ' A' ' 34' ' ' LEU . 6.1 mt -87.25 -60.49 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.866 HD12 HD11 ' A' ' 72' ' ' ILE . 56.1 mt -55.45 -23.79 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.632 1.207 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' VAL . 11.2 t-20 -66.34 -27.28 67.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.22 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.975 HD11 HD21 ' A' ' 34' ' ' LEU . 15.6 mt -73.34 -22.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 26' ' ' ASN . 22.8 mt -80.42 -47.78 13.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.1 t -63.36 -49.52 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -18.25 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 t30 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 0.0 109.311 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 22' ' ' HIS . 93.0 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.492 ' N ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER 81.92 -52.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.598 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -64.3 -49.71 70.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.585 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 46.4 t-105 -68.89 -43.99 74.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -52.89 -29.09 26.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 60.2 t30 -69.52 -22.43 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.106 ' CE1' HD21 ' A' ' 46' ' ' LEU . 7.0 t80 -91.93 -37.64 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 28' ' ' LEU . 7.5 tp -67.63 -30.55 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.96 -51.29 49.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.17 92.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.766 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -63.03 -14.18 44.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.0 -20.35 18.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 8.3 tpm_? -83.66 -28.03 28.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.02 HD21 HD11 ' A' ' 86' ' ' ILE . 36.4 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.494 0.187 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -55.68 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -18.71 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.225 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.106 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.36 -56.6 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.42 -23.9 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.0 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' HG12 ' A' ' 72' ' ' ILE . 9.6 t80 -79.07 -38.14 37.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.585 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -67.07 -47.19 72.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.14 69.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.69 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -64.41 -51.29 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 71' ' ' LEU . . . -61.3 -29.07 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.7 tp -54.23 -22.6 12.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -76.11 -5.3 45.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.13 HG22 ' CG2' ' A' ' 58' ' ' ILE . 2.8 m -128.29 86.39 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 53.28 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.13 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.27 -21.9 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.794 ' HB3' HD22 ' A' ' 67' ' ' LEU . 26.9 p-90 -95.48 -21.65 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD13 ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -70.29 -52.52 22.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.54 -59.6 5.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.04 -4.96 16.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.448 1.762 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 36.36 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -166.93 114.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 27' ' ' PHE . 1.4 t80 -65.2 -8.47 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -62.56 -20.51 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.56 -17.29 23.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.672 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.7 mt -65.76 -60.51 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.85 -21.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 t -76.1 -43.65 42.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -55.22 -42.76 73.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.175 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 84' ' ' ILE . 41.4 mt -37.27 97.59 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.592 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.09 99.64 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 69.07 134.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -36.01 121.4 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.625 ' CD2' HG23 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -87.46 168.16 18.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.76 -170.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -104.05 19.6 19.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.775 . . . . 0.0 110.253 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.849 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -58.39 -47.76 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.501 HG22 HD13 ' A' ' 72' ' ' ILE . 40.9 t -61.5 -38.06 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.59 -35.05 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 80' ' ' VAL . 8.4 mt -70.29 -13.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -100.98 -42.2 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -53.8 -24.83 16.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.02 HD11 HD21 ' A' ' 34' ' ' LEU . 16.9 mt -74.14 -37.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 13.3 mt -71.77 -42.59 66.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.0 t -61.97 -49.6 83.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -61.99 -14.42 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -14.03 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.9 -36.8 6.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CE3' ' HB3' ' A' ' 27' ' ' PHE . 28.3 t-105 -70.14 -43.84 70.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.2 tp -53.27 -28.72 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.723 ' O ' HD21 ' A' ' 87' ' ' LEU . 55.4 t30 -70.23 -20.41 63.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.727 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -99.15 -33.64 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -75.19 -32.19 61.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.79 -48.33 81.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . . . -60.75 -46.75 89.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.508 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -57.35 -37.3 72.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -11.73 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -11.23 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.955 HD21 HD11 ' A' ' 86' ' ' ILE . 47.1 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.555 0.217 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.02 -53.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.83 -25.04 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.727 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -80.06 -56.92 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -54.37 -20.04 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -79.62 -38.89 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.763 ' CE2' HD11 ' A' ' 84' ' ' ILE . 12.5 t80 -78.58 -33.45 47.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 ' CD2' ' A' ' 27' ' ' PHE . 7.1 mt -69.83 -52.94 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.53 -28.62 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.725 HD21 HD23 ' A' ' 71' ' ' LEU . 1.3 tt -65.18 -51.34 61.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.655 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -62.33 -31.43 72.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -53.21 -31.37 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -8.81 49.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.108 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.3 m -122.12 83.26 44.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.16 3.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.798 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.108 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.23 -21.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.897 ' HB3' HD22 ' A' ' 67' ' ' LEU . 24.1 p-90 -96.8 -23.65 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -67.65 -54.47 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.67 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.43 -60.44 4.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.396 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.67 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.0 -8.77 20.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.609 1.847 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 63' ' ' ILE . 1.9 tp 36.68 87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -157.72 116.64 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.551 ' HE1' HG23 ' A' ' 84' ' ' ILE . 6.5 t80 -65.42 -15.99 63.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.475 ' CB ' ' OD1' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -61.48 -23.48 65.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 110.024 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.01 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.1 tt -90.88 -19.25 23.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.5 mt -66.34 -60.21 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -21.88 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 68' ' ' LEU . 3.8 t -74.75 -43.68 53.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.725 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.82 -39.73 71.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.863 ' CD1' HG22 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -38.18 102.87 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 121.96 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.758 . . . . 0.0 110.969 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 73' ' ' PRO . 29.9 mtmm 31.64 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.527 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 57.65 121.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -79.67 -176.86 0.78 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.601 0.824 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.574 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 170.43 20.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.01 169.12 3.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.562 ' C ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER 72.63 6.7 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 81' ' ' VAL . 24.6 t -132.7 -82.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.863 HG22 ' CD1' ' A' ' 72' ' ' ILE . 21.5 t -57.8 -39.87 73.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -54.34 -22.25 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.707 HG12 HD12 ' A' ' 34' ' ' LEU . 6.8 mt -92.16 -35.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.763 HD11 ' CE2' ' A' ' 49' ' ' PHE . 20.5 mt -74.33 -36.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -54.29 -31.2 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.955 HD11 HD21 ' A' ' 34' ' ' LEU . 13.8 mt -65.54 -34.89 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.723 HD21 ' O ' ' A' ' 26' ' ' ASN . 21.1 mt -73.64 -42.94 60.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.6 t -64.75 -51.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -14.22 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -61.61 -43.74 98.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.522 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.48 -41.39 94.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.902 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 33.5 t-105 -73.56 -43.09 60.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.977 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.69 -28.26 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.751 ' O ' HD21 ' A' ' 87' ' ' LEU . 57.5 t30 -71.6 -21.69 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.058 ' CE1' HD21 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -99.67 -35.38 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.2 tp -68.4 -26.85 65.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -54.23 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.608 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -57.2 -39.43 75.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.533 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -67.71 -24.69 65.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -13.21 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.384 1.052 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -93.04 -9.98 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.714 HD21 HD11 ' A' ' 86' ' ' ILE . 16.7 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.532 0.206 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -55.22 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -16.75 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.058 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -86.48 -55.91 3.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -19.12 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.25 -25.91 55.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 84' ' ' ILE . 42.4 t80 -95.08 -36.95 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.902 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 11.7 mt -71.35 -58.62 3.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -25.11 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -70.15 -55.58 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.53 -32.37 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.4 tp -62.78 -13.48 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -73.92 -4.05 32.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 56' ' ' THR . 13.0 t -150.88 96.6 3.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 110.377 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 68.66 5.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.906 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.44 -22.99 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HB3' HD22 ' A' ' 67' ' ' LEU . 9.2 p-90 -94.26 -24.4 17.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.86 -55.53 12.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.679 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -44.67 -60.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -12.24 21.48 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 63' ' ' ILE . 3.0 tp 38.15 89.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -158.44 117.93 3.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.758 ' HE2' HG23 ' A' ' 84' ' ' ILE . 11.3 t80 -64.81 -8.84 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 p -67.75 -28.88 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.99 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.1 tt -85.53 -18.97 31.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.539 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.1 mt -70.36 -62.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.53 -19.37 5.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -72.07 -36.9 69.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.936 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.73 -43.24 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.04 HD11 HD12 ' A' ' 84' ' ' ILE . 16.0 mt -56.71 115.59 10.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.1 48.44 2.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.1 mttm 28.16 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.22 -2.18 5.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.798 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -39.17 155.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.99 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.24 -173.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.52 21.67 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -59.06 -43.6 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG22 HD13 ' A' ' 72' ' ' ILE . 4.6 t -69.53 -40.26 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.44 -25.89 38.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.608 HG12 HD12 ' A' ' 34' ' ' LEU . 7.9 mt -85.03 -55.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.04 HD12 HD11 ' A' ' 72' ' ' ILE . 16.2 mt -58.75 -29.56 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.5 -34.77 73.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.714 HD11 HD21 ' A' ' 34' ' ' LEU . 18.0 mt -63.74 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.751 HD21 ' O ' ' A' ' 26' ' ' ASN . 20.8 mt -76.96 -46.0 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.83 -49.86 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -19.57 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.387 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -109.01 -27.81 9.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.614 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.538 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -109.99 -33.0 6.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.918 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 63.4 t-105 -73.41 -43.11 61.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 108.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 25' ' ' LEU . 7.8 tp -53.21 -25.31 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.487 ' O ' HD21 ' A' ' 87' ' ' LEU . 47.4 t30 -73.9 -26.97 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.697 ' CE1' HD11 ' A' ' 46' ' ' LEU . 3.1 t80 -92.52 -38.22 12.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.72 -15.08 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.372 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -83.4 -56.83 3.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.5 -39.38 76.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -63.13 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -13.38 59.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -92.08 -12.83 31.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.092 HD21 HD11 ' A' ' 86' ' ' ILE . 14.4 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.528 0.204 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 2.5 pp0? -62.5 -49.93 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.62 -8.48 55.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.755 ' HG ' HG22 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -95.61 -39.17 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.864 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -70.62 -25.43 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 72' ' ' ILE . 11.5 t80 -76.87 -30.76 56.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.918 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -71.6 -49.62 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -56.26 -27.45 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.731 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -67.03 -54.04 25.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.744 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.95 -30.39 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.2 tp -62.1 -13.42 26.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -73.23 -4.77 35.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 56' ' ' THR . 14.3 t -149.3 95.84 3.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.59 5.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.87 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.42 -22.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.748 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.2 p-90 -94.48 -21.6 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -71.24 -51.13 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.644 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -47.56 -59.36 5.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.03 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 35.1 88.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.73 112.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.675 ' OH ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 t80 -63.47 -10.69 18.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -59.15 -18.5 36.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.005 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.31 -18.68 22.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.744 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.6 mt -68.2 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -22.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -73.51 -34.8 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.04 -51.73 66.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.836 HD13 HG22 ' A' ' 81' ' ' VAL . 4.9 mt -39.55 99.62 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.94 85.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 77.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . . . -37.03 120.02 0.65 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.57 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -92.98 177.25 2.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.728 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.87 -175.44 2.34 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.52 -171.89 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -101.81 21.18 14.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.38 0.694 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.755 HG22 ' HG ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -58.7 -43.89 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.836 HG22 HD13 ' A' ' 72' ' ' ILE . 12.2 t -70.09 -38.49 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.468 ' HA ' ' ND2' ' A' ' 85' ' ' ASN . 14.6 mm-40 -58.77 -25.01 62.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.917 HG12 HD12 ' A' ' 34' ' ' LEU . 5.8 mt -86.9 13.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 27' ' ' PHE . 1.2 mt -120.1 -48.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.521 ' C ' ' OD1' ' A' ' 85' ' ' ASN . 6.0 p30 -53.82 -20.57 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.092 HD11 HD21 ' A' ' 34' ' ' LEU . 84.6 mt -76.08 -34.02 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.487 HD21 ' O ' ' A' ' 26' ' ' ASN . 18.9 mt -73.06 -43.64 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.7 t -62.86 -49.5 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -60.33 -15.39 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.445 ' ND1' HD11 ' A' ' 63' ' ' ILE . 38.7 m170 -62.98 -46.31 88.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.925 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 48.4 t-105 -69.58 -43.15 73.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.087 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -51.98 -33.73 39.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.575 ' OD1' HD22 ' A' ' 87' ' ' LEU . 38.8 t30 -64.06 -26.37 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -91.65 -32.94 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.689 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 15.2 tp -78.45 -20.61 50.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -71.85 -59.15 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -55.35 -34.53 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -71.91 -16.56 62.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.84 -16.21 21.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -19.99 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' A' ' 86' ' ' ILE . 23.9 mt . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.689 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.559 0.219 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.9 pt20 -80.22 -53.7 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 3.6 mm-40 -65.16 -10.67 33.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -89.28 -41.07 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' A' ' 50' ' ' LEU . 7.2 tmm_? -66.93 -26.48 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 110.298 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -44.78 83.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.352 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 34.3 t80 -59.39 -34.49 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.925 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 14.8 mt -72.04 -55.68 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -56.58 -27.45 57.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.4 tt -67.26 -55.08 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.626 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.27 -28.22 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.1 tp -64.07 -12.32 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -2.39 28.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 56' ' ' THR . 13.2 t -151.44 96.61 3.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.448 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 68.16 5.74 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.892 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.24 -22.99 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.846 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.2 p-90 -95.2 -24.04 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -68.88 -54.36 16.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.652 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -45.49 -60.05 3.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.02 -10.71 21.29 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.394 1.733 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 63' ' ' ILE . 3.4 tp 38.24 90.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.5 114.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.87 -9.59 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -65.84 -23.02 66.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.018 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -89.13 -17.22 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.5 mt -67.77 -61.49 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.3 -21.93 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -69.3 -40.3 77.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.92 -40.46 80.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.783 HG23 ' HB2' ' A' ' 76' ' ' TYR . 8.5 mt -51.73 116.02 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 47.47 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER 29.54 88.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 129.14 -1.24 6.17 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.783 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -36.37 153.58 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 -167.9 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.45 -172.88 0.19 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 20.48 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.519 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.2 t -60.05 -46.84 93.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 HD13 ' A' ' 72' ' ' ILE . 4.2 t -67.91 -39.27 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -55.71 -26.43 45.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 31' ' ' ALA . 4.5 mt -89.2 -51.75 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.758 HD12 HD11 ' A' ' 72' ' ' ILE . 5.5 mt -62.03 -24.89 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -64.29 -33.37 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.855 HD11 ' CD2' ' A' ' 34' ' ' LEU . 6.6 mt -62.58 -35.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.575 HD22 ' OD1' ' A' ' 26' ' ' ASN . 44.1 mt -67.58 -42.79 81.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.44 -50.5 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -18.51 65.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.4 t30 . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 21' ' ' THR . 54.4 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.46 -65.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CE1' HG13 ' A' ' 63' ' ' ILE . 64.9 m80 -82.77 -23.03 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.711 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 49.1 t-105 -71.74 -43.25 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 25' ' ' LEU . 7.5 tp -52.12 -30.66 27.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.799 ' OD1' HD13 ' A' ' 87' ' ' LEU . 16.3 t-20 -68.28 -25.6 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -91.55 -34.13 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 111.052 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.877 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 17.0 tp -77.13 -14.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' TYR . 2.5 mt-30 -80.83 -63.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.47 -27.67 17.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -77.7 -26.64 50.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -85.39 -6.95 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -99.67 -10.38 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.993 HD21 HD11 ' A' ' 86' ' ' ILE . 87.6 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.877 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 9.6 m-30 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.501 0.191 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -56.59 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -58.44 -17.97 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.02 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -85.93 -58.34 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -53.01 -20.16 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -31.37 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.63 ' CE1' ' CG1' ' A' ' 72' ' ' ILE . 18.3 t80 -80.8 -33.91 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.711 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 6.6 mt -70.36 -49.49 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.08 36.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.571 ' C ' HD23 ' A' ' 52' ' ' LEU . 5.1 tt -71.58 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.78 -28.91 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -63.74 -12.8 37.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -73.45 -4.06 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 56' ' ' THR . 14.8 t -150.9 95.12 3.46 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 67.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.871 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.86 -21.64 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 109.221 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.858 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.8 p-90 -94.91 -23.08 17.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -68.06 -55.87 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.669 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -45.17 -60.42 3.23 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.669 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.05 -11.3 21.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 63' ' ' ILE . 1.5 tp 37.95 87.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.96 121.73 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.658 ' CE2' ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -69.87 -2.22 11.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 111.019 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -76.19 -40.12 53.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.0 tt -74.39 -21.87 59.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.0 mt -69.99 -62.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -20.79 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.1 t -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.545 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.25 -55.33 22.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.902 HD13 HG22 ' A' ' 81' ' ' VAL . 80.7 mt -41.52 100.74 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -75.06 50.7 2.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' PRO . 9.7 ttpt 34.82 44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.35 3.23 5.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.46 ' OH ' HD13 ' A' ' 52' ' ' LEU . 4.5 m-85 -100.22 122.95 48.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' GLY . 18.3 Cg_endo -75.1 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.31 173.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.62 ' C ' HD12 ' A' ' 83' ' ' ILE . 7.2 mmp_? 81.57 -7.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.264 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 81' ' ' VAL . 25.3 t -135.03 -80.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.902 HG22 HD13 ' A' ' 72' ' ' ILE . 4.5 t -61.19 -38.23 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 3.6 mm-40 -57.71 -15.48 8.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.816 HG12 HD12 ' A' ' 34' ' ' LEU . 5.7 mt -100.05 -37.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.692 HD12 HD11 ' A' ' 72' ' ' ILE . 54.2 mt -75.48 -40.32 41.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 27.4 p-10 -52.72 -26.22 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.993 HD11 HD21 ' A' ' 34' ' ' LEU . 19.0 mt -70.9 -35.39 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.799 HD13 ' OD1' ' A' ' 26' ' ' ASN . 19.7 mt -70.99 -42.96 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.44 -50.53 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -65.38 -16.79 63.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 7.3 t30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -41.47 94.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.546 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 15.0 m170 -60.83 -44.76 96.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 1.018 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 43.9 t-105 -71.55 -42.78 67.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 7.5 tp -53.86 -31.08 48.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.703 ' O ' HD21 ' A' ' 87' ' ' LEU . 10.0 t-20 -67.58 -13.78 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.924 ' CE1' HD11 ' A' ' 46' ' ' LEU . 1.3 t80 -108.84 -34.3 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 14.4 tp -72.08 -23.08 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.21 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 2.0 mt-30 -70.69 -59.06 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.381 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -54.84 -35.24 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.633 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.69 -17.11 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -91.09 -11.91 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.709 ' CD2' HD11 ' A' ' 86' ' ' ILE . 30.9 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 3.8 m-30 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.553 0.216 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -53.34 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.43 ' O ' ' NE ' ' A' ' 48' ' ' ARG . 10.0 pt20 -68.5 -6.99 28.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.924 HD11 ' CE1' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -94.7 -40.21 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.239 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.626 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -63.27 -20.59 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 45' ' ' GLN . 24.3 ptt180 -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.579 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 40.4 t80 -67.6 -34.91 77.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.018 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 7.6 mt -71.11 -51.69 23.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -54.3 -26.02 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 71' ' ' LEU . 3.7 tt -69.41 -56.45 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -58.05 -32.79 68.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.2 tp -62.59 -13.51 32.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -73.03 -4.41 32.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 56' ' ' THR . 12.3 t -151.46 96.5 3.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 68.93 5.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.878 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.26 -21.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.8 p-90 -94.72 -23.7 17.45 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.59 1.181 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.52 -55.37 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.675 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -45.62 -60.65 3.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -75.0 -10.97 21.45 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.55 1.816 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.546 ' CD1' ' CE1' ' A' ' 23' ' ' HIS . 2.6 tp 37.78 88.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -157.44 118.06 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.633 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.6 t80 -65.12 -8.99 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.2 p -66.76 -34.19 77.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.991 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -78.99 -18.41 53.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 68' ' ' LEU . 4.8 mt -69.14 -61.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.01 -20.71 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -74.01 -40.7 62.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.32 -42.48 86.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.382 1.051 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.735 HD11 HD12 ' A' ' 84' ' ' ILE . 17.3 mt -42.67 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -75.03 114.27 3.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.2 tttt 37.21 50.34 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 59.31 123.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.546 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -84.11 173.16 7.7 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 0.739 . . . . 0.0 110.972 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.546 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 -169.18 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.414 ' HA3' ' NE2' ' A' ' 45' ' ' GLN . . . 48.07 -171.58 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -93.09 19.6 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -56.67 -41.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.633 HG22 HD13 ' A' ' 72' ' ' ILE . 47.8 t -73.08 -39.94 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -27.72 60.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 31' ' ' ALA . 7.5 mt -83.55 -12.03 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.735 HD12 HD11 ' A' ' 72' ' ' ILE . 70.1 mt -102.82 -35.85 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.33 -25.02 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.709 HD11 ' CD2' ' A' ' 34' ' ' LEU . 15.9 mt -72.57 -35.74 51.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 26' ' ' ASN . 27.6 mt -65.09 -42.7 93.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -69.14 -49.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -2.22 32.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.196 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' ILE . 5.6 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 21' ' ' THR . 3.2 m . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.561 0.219 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.503 ' NE2' ' ND1' ' A' ' 23' ' ' HIS . 12.0 p-80 -123.11 -44.43 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.624 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.508 ' CG ' HD11 ' A' ' 63' ' ' ILE . 1.9 p-80 -84.58 -30.17 25.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CH2' HD11 ' A' ' 50' ' ' LEU . 25.4 t-105 -75.17 -43.97 49.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 108.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.6 tp -52.08 -28.04 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.796 ' ND2' HD13 ' A' ' 87' ' ' LEU . 27.3 t30 -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.588 ' CE1' HD11 ' A' ' 46' ' ' LEU . 1.9 t80 -86.22 -40.05 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 9.6 tp -65.74 -11.97 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -84.98 -57.12 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' HB2' HD23 ' A' ' 87' ' ' LEU . . . -58.27 -43.38 87.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -56.82 -37.29 71.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -72.9 -17.93 61.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.175 . . . . 0.0 111.046 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -9.39 56.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.907 HD11 HD12 ' A' ' 86' ' ' ILE . 15.8 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 13.0 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.502 0.191 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.7 pt20 -67.08 -53.2 33.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 10.1 mt-30 -70.48 -7.94 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -93.75 -40.52 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.36 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -59.17 -25.37 63.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -41.05 95.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.89 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 6.8 t80 -68.47 -51.81 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.686 HD11 ' CH2' ' A' ' 24' ' ' TRP . 9.8 mt -61.46 -39.6 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -67.38 -28.03 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.71 HD21 HD23 ' A' ' 71' ' ' LEU . 3.7 tt -70.38 -57.35 4.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.653 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.56 -30.23 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -63.53 -12.48 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -76.18 -1.08 24.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 56' ' ' THR . 13.2 t -153.61 96.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 68.29 5.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.871 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.32 -21.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.84 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.2 p-90 -95.76 -22.54 17.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 107.931 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.75 -55.47 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.666 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -46.44 -60.25 3.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.96 -11.32 21.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.2 tp 36.89 88.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -158.08 117.58 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.98 ' CE2' HG23 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -64.66 -8.89 16.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -67.54 -22.79 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.04 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.019 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.4 tt -91.54 -15.97 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.89 HD22 ' CZ ' ' A' ' 49' ' ' PHE . 5.5 mt -65.16 -61.68 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.77 -27.46 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -36.3 83.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.71 HD23 HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -71.95 -3.57 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.725 HG21 ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -129.1 64.48 71.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HD3' ' C ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.02 58.31 4.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt 75.48 48.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . -115.03 -109.75 2.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.486 ' C ' ' O ' ' A' ' 75' ' ' GLY . 2.9 m-85 -30.48 143.68 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.07 -178.76 4.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.99 175.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.636 ' C ' HD12 ' A' ' 83' ' ' ILE . 1.8 ttm-85 90.11 -9.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 81' ' ' VAL . 23.0 t -132.42 -82.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.725 ' CG2' HG21 ' A' ' 72' ' ' ILE . 6.6 t -56.22 -40.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HG3' HD13 ' A' ' 34' ' ' LEU . 1.8 pt-20 -54.5 -20.92 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.865 HG12 HD12 ' A' ' 34' ' ' LEU . 5.3 mt -98.54 -25.81 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.98 HG23 ' CE2' ' A' ' 65' ' ' TYR . 1.4 mt -78.16 -50.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.06 -20.37 6.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.907 HD12 HD11 ' A' ' 34' ' ' LEU . 59.0 mt -79.75 -34.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.857 HD12 ' CE2' ' A' ' 65' ' ' TYR . 81.7 mt -59.27 -42.56 91.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.748 HG23 ' OH ' ' A' ' 65' ' ' TYR . 2.8 t -66.5 -53.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -20.49 18.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.071 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 59.6 t30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.794 ' HB ' HD22 ' A' ' 25' ' ' LEU . 1.4 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.437 -0.208 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -132.37 -45.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.571 ' HB3' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -100.89 -36.33 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.646 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.969 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 57.0 t-105 -75.77 -46.21 32.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 21' ' ' THR . 6.0 tp -53.01 -19.48 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.412 ' OD1' HD22 ' A' ' 87' ' ' LEU . 50.4 t30 -76.73 -30.68 56.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.611 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 12.2 t80 -85.66 -45.0 12.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 6.4 tp -53.91 -18.2 3.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.49 -59.85 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.79 85.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -61.48 -20.75 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -88.64 -28.82 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -23.14 61.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.866 HD12 HG12 ' A' ' 83' ' ' ILE . 38.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.504 0.192 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -67.38 -56.78 8.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.17 -11.41 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 46' ' ' LEU . 1.1 tt -88.8 -41.13 12.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -65.21 -38.91 91.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' PHE . 35.9 ptt180 -64.9 -35.17 80.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.553 ' CD2' HG11 ' A' ' 80' ' ' VAL . 15.1 t80 -63.1 -44.11 96.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.969 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 10.8 mt -68.64 -49.51 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -58.24 -27.48 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.405 1.066 . . . . 0.0 109.366 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.774 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 tt -66.31 -52.86 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.677 ' HA ' HD22 ' A' ' 71' ' ' LEU . . . -59.99 -31.48 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.2 tp -53.02 -29.52 29.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -10.14 47.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 1.124 HG22 ' CG2' ' A' ' 58' ' ' ILE . 2.8 m -125.58 85.75 58.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 53.82 3.46 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.527 1.804 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.124 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -115.86 -20.78 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.815 ' HB3' HD22 ' A' ' 67' ' ' LEU . 23.2 p-90 -96.97 -20.64 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -72.3 -51.45 20.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.368 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -49.08 -59.47 6.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.01 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 23' ' ' HIS . 2.6 tp 37.48 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -163.0 114.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.889 ' CE1' HD12 ' A' ' 68' ' ' LEU . 13.2 t80 -69.18 -4.57 18.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.024 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -91.89 -17.65 24.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.889 HD12 ' CE1' ' A' ' 65' ' ' TYR . 4.6 mt -62.32 -59.94 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -22.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 t -73.77 -46.11 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.04 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -55.34 -41.86 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.775 HD11 HD12 ' A' ' 84' ' ' ILE . 5.1 mt -38.82 99.24 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.01 91.92 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER 67.74 149.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.363 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.67 117.56 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.41 160.54 31.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.29 -175.25 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.65 19.52 20.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 0.74 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.843 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.0 OUTLIER -60.7 -47.3 93.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.751 HG22 HD13 ' A' ' 72' ' ' ILE . 20.5 t -65.49 -38.28 82.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.632 1.208 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -57.63 -16.41 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.866 HG12 HD12 ' A' ' 34' ' ' LEU . 7.1 mt -91.94 -18.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.775 HD12 HD11 ' A' ' 72' ' ' ILE . 10.9 mt -94.9 -49.44 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 20.2 p-10 -48.83 -24.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.848 ' CD1' HD21 ' A' ' 34' ' ' LEU . 25.6 mt -75.3 -40.65 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.538 HD12 ' CE2' ' A' ' 65' ' ' TYR . 24.6 mt -63.41 -40.83 98.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.8 t -68.71 -48.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -3.02 37.09 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' ILE . 4.6 p-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' HIS . 4.9 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 68.92 -67.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 73.0 m-70 -77.29 -43.65 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.605 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.628 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 52.1 t-105 -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 107.965 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.4 tp -53.52 -26.64 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.476 ' O ' HD21 ' A' ' 87' ' ' LEU . 58.1 t30 -73.01 -23.54 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.955 ' CE1' HD21 ' A' ' 46' ' ' LEU . 2.6 t80 -95.29 -40.27 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.065 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.62 -30.33 71.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -71.45 -51.77 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.53 ' HB2' HD21 ' A' ' 87' ' ' LEU . . . -59.31 -44.74 92.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -60.07 -24.95 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -23.91 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -11.89 60.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.025 HD21 HD11 ' A' ' 86' ' ' ILE . 16.7 mt . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.552 0.215 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -65.75 -54.38 27.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.53 -20.38 55.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.955 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -82.58 -56.25 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -20.7 18.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 4.91 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.893 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 15.1 t80 -117.36 -38.48 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 46' ' ' LEU . 7.3 mt -68.83 -54.53 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -27.63 49.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.694 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 tt -65.98 -51.98 53.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.681 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.86 -29.74 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.8 tp -64.43 -12.43 43.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -75.7 -2.8 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 56' ' ' THR . 14.7 t -150.04 95.8 3.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.519 1.799 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.87 -22.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.708 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.8 p-90 -95.81 -21.96 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -71.35 -51.39 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.645 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.85 -59.42 5.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -74.97 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.3 tp 35.79 89.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -169.6 112.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.588 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 1.3 t80 -64.23 -9.89 20.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -60.13 -18.91 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.0 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -92.56 -17.89 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.681 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.9 mt -69.67 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.437 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -51.14 -22.03 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -74.89 -36.17 62.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.071 . . . . 0.0 109.951 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.55 -41.98 77.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.893 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 36.1 mt -65.67 126.11 91.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.97 47.75 1.82 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.429 1.752 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 22.92 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.72 -7.52 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.487 1.117 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.641 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -44.01 166.1 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.369 0.688 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 -172.23 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.93 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 23.78 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.853 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -57.86 -44.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.75 HG22 HG21 ' A' ' 72' ' ' ILE . 9.2 t -63.83 -39.39 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -27.09 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 80' ' ' VAL . 11.5 mt -77.62 -28.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.608 HG12 ' CE2' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.9 -38.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -52.81 -26.6 14.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.025 HD11 HD21 ' A' ' 34' ' ' LEU . 18.9 mt -75.79 -36.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 30' ' ' ALA . 10.4 mt -76.18 -42.9 44.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.9 t -59.79 -47.13 92.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -16.61 32.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.7 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -54.06 -17.62 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.614 1.196 . . . . 0.0 109.591 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.608 ' NE2' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -114.64 -41.83 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.549 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.75 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 49.8 t-105 -64.23 -43.14 95.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 25' ' ' LEU . 10.9 tp -52.56 -34.46 50.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.718 ' O ' HD21 ' A' ' 87' ' ' LEU . 52.0 t30 -64.83 -19.47 65.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.163 ' CE2' HD21 ' A' ' 46' ' ' LEU . 2.6 t80 -103.4 -40.17 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 15.9 tp -61.86 -26.7 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.06 -55.7 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.1 72.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -35.57 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -75.96 -19.37 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -5.68 59.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.913 HD21 HD11 ' A' ' 86' ' ' ILE . 26.8 mt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.44 0.162 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.89 -53.25 22.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -63.97 -10.63 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.163 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -94.75 -56.07 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -20.87 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' CD ' ' HA ' ' A' ' 45' ' ' GLN . 8.5 ptm180 -87.45 -15.72 36.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 72' ' ' ILE . 6.7 t80 -98.87 -34.37 10.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.75 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 7.5 mt -69.52 -53.28 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -55.35 -27.11 45.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -66.69 -51.94 50.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.67 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -61.39 -32.51 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -63.94 -11.94 32.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 ptpt -77.47 -3.47 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 56' ' ' THR . 14.9 t -147.95 94.98 4.24 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 66.69 6.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.859 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.39 -22.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 67' ' ' LEU . 17.9 p-90 -95.59 -20.63 18.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -73.43 -49.93 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.638 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -48.76 -58.96 7.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.638 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.07 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 35.45 89.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.77 111.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.627 ' OH ' ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -63.11 -10.59 15.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.7 p -58.44 -20.65 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -93.63 -18.03 22.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.9 mt -67.58 -61.36 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -78.54 -39.62 37.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.768 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -55.91 -43.79 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.708 HD13 HG22 ' A' ' 81' ' ' VAL . 4.5 mt -37.42 97.95 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.1 Cg_endo -75.04 109.69 2.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.373 1.723 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLY . 4.7 mmmm 68.76 119.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -33.58 117.91 0.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.33 170.32 10.43 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 0.768 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -55.59 172.41 1.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 9.9 mtt85 80.86 1.22 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.438 0.728 . . . . 0.0 110.228 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 81' ' ' VAL . 26.6 t -136.55 -83.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 72' ' ' ILE . 6.3 t -57.71 -39.19 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.55 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -56.43 -21.74 27.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 34' ' ' LEU . 9.0 mt -89.24 -37.12 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.599 HG12 ' CE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -75.61 -33.84 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -54.87 -36.91 65.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.913 HD11 HD21 ' A' ' 34' ' ' LEU . 12.7 mt -64.06 -46.34 94.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.718 HD21 ' O ' ' A' ' 26' ' ' ASN . 26.4 mt -62.88 -42.61 99.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.6 t -65.15 -52.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -68.12 -9.19 44.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 10.3 t-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 23.0 m170 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tmm? 57.27 73.59 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.81 -97.97 0.32 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.568 1.168 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.503 ' HG2' HD12 ' A' ' 12' ' ' ILE . 0.8 OUTLIER -151.32 71.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.8 mm 62.62 132.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.1 t60 77.88 -56.28 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.163 . . . . 0.0 109.578 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.86 57.39 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 7' ' ' LEU . 2.0 tt 40.72 47.68 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 0.795 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.458 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -77.93 -54.08 1.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.94 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' C ' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.01 -11.45 21.46 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.506 1.793 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.487 HG22 ' C ' ' A' ' 9' ' ' PRO . 1.8 t 43.82 68.51 2.99 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.63 0.85 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.458 1.767 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.699 HG23 ' HD2' ' A' ' 13' ' ' PRO . 63.5 mt -84.43 142.25 40.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 12' ' ' ILE . 18.3 Cg_endo -74.93 56.2 4.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 46.83 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.863 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . -77.95 -55.48 1.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.863 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 92.31 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.444 1.76 . . . . 0.0 111.04 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.22 94.54 8.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.29 84.61 0.15 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.608 HD21 ' HH2' ' A' ' 59' ' ' TRP . 0.4 OUTLIER 41.23 47.36 2.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.602 ' CB ' ' CD2' ' A' ' 23' ' ' HIS . 0.6 OUTLIER 52.95 171.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 22' ' ' HIS . 1.9 m -81.07 -91.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.566 ' N ' HG22 ' A' ' 21' ' ' THR . 13.8 m80 -43.12 -27.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.602 ' CD2' ' CB ' ' A' ' 20' ' ' SER . 2.6 m-70 -69.13 -57.12 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.649 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.659 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.7 t-105 -67.49 -43.6 80.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.992 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -52.13 -36.1 50.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.559 ' O ' HD21 ' A' ' 87' ' ' LEU . 12.0 t-20 -60.98 -23.49 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.847 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -97.18 -32.53 11.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 7.4 tp -76.54 -33.69 58.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.25 -50.9 71.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.597 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -61.13 -43.01 99.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.84 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -75.86 -19.6 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -78.49 -29.54 46.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 86' ' ' ILE . 60.2 mt -80.26 -135.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -52.22 140.79 32.74 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.427 1.08 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 79.69 2.6 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.41 88.78 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 107.52 2.5 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.37 1.721 . . . . 0.0 110.975 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER 67.17 -80.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' SER . 3.7 t0 40.28 -154.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -126.48 33.06 5.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.22 -17.81 38.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -63.49 -11.18 21.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 17.5 pt20 -64.22 -52.19 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 0.8 OUTLIER -62.11 -17.0 56.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.847 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -85.3 -56.01 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -20.99 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -35.38 75.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CE1' HG12 ' A' ' 72' ' ' ILE . 24.5 t80 -84.46 -37.97 20.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.659 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 9.8 mt -65.76 -49.5 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.29 -30.17 68.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.702 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -64.48 -51.26 63.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.649 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -62.1 -30.66 71.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -53.52 -29.01 34.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -10.45 58.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.115 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.7 m -121.61 83.7 41.98 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.41 1.069 . . . . 0.0 110.4 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.82 3.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.115 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -118.4 -21.12 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 28.2 p-90 -96.09 -22.41 17.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 107.974 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -68.69 -53.96 19.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.647 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.45 -59.59 5.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.0 -10.19 21.1 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.4 tp 36.91 88.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.91 115.26 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.602 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 3.5 t80 -61.25 -12.6 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.5 p -60.34 -24.75 65.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.022 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -92.24 -18.41 23.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 65' ' ' TYR . 5.6 mt -65.1 -61.07 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.94 -20.92 3.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -45.41 53.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.672 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.19 -31.24 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.845 HD13 HG22 ' A' ' 81' ' ' VAL . 12.0 mt -58.54 119.74 38.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.6 Cg_endo -74.93 48.53 2.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.779 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 24.69 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.368 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.72 -3.97 5.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.554 1.158 . . . . 0.0 111.027 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.631 ' HB2' HG23 ' A' ' 72' ' ' ILE . 33.1 t80 -37.2 148.53 0.2 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.551 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.94 -168.56 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.423 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . . . 54.18 176.56 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -99.13 17.94 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.311 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.627 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -59.55 -46.56 92.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.845 HG22 HD13 ' A' ' 72' ' ' ILE . 34.0 t -63.49 -39.64 86.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -55.4 -27.09 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.242 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.825 HG12 HD12 ' A' ' 34' ' ' LEU . 6.6 mt -85.93 -39.37 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.228 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.658 HD12 HD11 ' A' ' 72' ' ' ILE . 60.5 mt -70.0 -37.51 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -53.29 -29.39 33.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 34' ' ' LEU . 13.5 mt -70.75 -22.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD21 ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -86.75 -43.31 12.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 91' ' ' GLN . 4.9 t -63.46 -48.48 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -22.14 12.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -91.19 18.96 6.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.731 ' O ' HG22 ' A' ' 92' ' ' VAL . 9.9 tt0 -90.3 -62.92 1.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 91' ' ' GLN . 7.3 m 50.27 24.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 t -116.17 93.03 37.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.31 5.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ALA . 79.6 p -90.21 165.26 14.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.066 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' SER . . . -39.52 99.91 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 95' ' ' SER . 18.2 Cg_endo -75.0 56.69 4.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.63 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -177.04 111.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.827 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . 168.2 -54.73 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.174 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.827 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.5 Cg_endo -74.86 55.76 3.97 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.7 m -138.42 154.73 73.82 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.213 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 103' ' ' THR . 18.3 Cg_endo -75.01 -28.25 9.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.563 1.822 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.31 -53.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 110.428 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.3 Cg_endo -75.03 141.05 26.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 tp -165.56 -44.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.8 p -172.93 155.26 2.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 108.303 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.14 19.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 108' ' ' THR . 10.0 t -92.91 64.96 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.8 p -107.12 63.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.506 ' N ' ' CD ' ' A' ' 111' ' ' PRO . 0.8 OUTLIER -74.66 -51.4 4.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -74.97 159.34 41.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.405 1.739 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.24 33.78 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 114' ' ' PRO . 18.5 Cg_endo -74.98 155.03 43.0 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 113' ' ' PRO . 18.2 Cg_endo -74.97 159.3 41.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.558 1.82 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.39 18.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 169.99 21.38 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 56.53 4.32 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.769 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.05 150.7 4.49 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.41 ' CG ' ' HG3' ' A' ' 124' ' ' PRO . 26.1 tt0 -79.72 132.53 36.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.16 -57.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 123' ' ' VAL . 2.5 p-80 -69.3 131.71 45.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 109.566 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 123' ' ' VAL . 7.8 p -39.47 99.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.41 ' HG3' ' CG ' ' A' ' 120' ' ' GLU . 18.5 Cg_endo -74.91 155.28 43.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.441 ' O ' ' CE2' ' A' ' 127' ' ' TYR . 18.6 Cg_endo -74.94 155.23 43.2 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.8 . . . . 0.0 111.073 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.599 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 18.4 Cg_endo -75.02 -68.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 126' ' ' PRO . 44.3 p90 41.48 -166.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 55.9 t -136.0 -63.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 69.1 160.72 0.15 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.0 10.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 4.6 m -78.23 -60.05 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.3 m -73.88 130.76 40.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 135' ' ' CYS . 61.2 p -127.52 -44.18 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.456 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 136' ' ' PHE . 3.5 mt-30 67.89 -69.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 133' ' ' THR . 35.3 t 71.3 -64.69 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 108.348 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 134' ' ' GLN . 7.8 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.36 109.85 20.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.39 -86.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 64.68 171.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 110.33 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 7' ' ' LEU . 5.3 tp -159.31 135.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -40.82 -60.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.609 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.99 96.56 1.99 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 4' ' ' ILE . 1.7 tt -161.26 147.82 14.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.3 p -179.06 78.51 0.21 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.07 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER 167.36 -53.74 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.677 ' O ' HG22 ' A' ' 12' ' ' ILE . 18.2 Cg_endo -74.93 -165.04 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER 87.65 151.17 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.24 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.05 -162.67 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.791 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 6.0 ptmm? 47.66 -153.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 14' ' ' LYS . . . 70.55 154.55 0.15 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 55.76 4.02 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.425 1.75 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 175.45 127.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 20' ' ' SER . . . 167.26 76.94 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.785 ' HB3' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -70.27 61.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 18' ' ' GLY . 5.0 m 60.57 121.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -62.71 -65.58 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.363 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' N ' HG22 ' A' ' 21' ' ' THR . 35.3 t60 -41.23 -40.07 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.607 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.467 ' CE1' ' H ' ' A' ' 65' ' ' TYR . 5.3 m-70 -62.54 -48.01 81.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.718 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 27.7 t-105 -68.26 -43.0 78.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.4 tp -52.76 -35.91 57.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.752 ' ND2' HD13 ' A' ' 87' ' ' LEU . 50.4 t30 -64.16 -18.46 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CZ ' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -101.76 -34.52 9.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.77 -24.11 60.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.19 -59.56 2.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.51 63.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -68.85 -40.72 79.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -10.01 39.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.3 -3.35 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 86' ' ' ILE . 5.5 mt -122.36 -42.93 2.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.484 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -38.57 -52.68 3.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 35' ' ' GLN . 18.3 Cg_endo -75.03 96.21 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.465 1.771 . . . . 0.0 110.963 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.24 -175.1 46.92 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.4 Cg_endo -75.02 60.44 5.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 3.8 p 164.9 78.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.066 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.475 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -76.36 -176.27 3.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' CG ' ' C ' ' A' ' 40' ' ' ASP . 1.9 m-85 70.77 55.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.843 ' OD2' HD11 ' A' ' 83' ' ' ILE . 15.6 t70 -109.38 27.78 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.21 -32.45 5.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -66.66 -52.14 48.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -4.38 25.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -99.4 -39.28 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.3 ttt-85 -67.49 -10.89 55.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.24 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.484 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 2.7 ptm85 -83.06 -41.76 18.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 1.085 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 54.0 t80 -66.48 -34.77 78.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.718 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 21.4 mt -69.77 -56.35 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -26.56 35.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.663 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.4 tt -67.34 -54.66 18.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.03 -30.58 59.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.2 tp -62.38 -14.0 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -74.22 -3.72 31.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 56' ' ' THR . 14.0 t -149.87 95.59 3.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 67.2 6.02 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.447 1.761 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.849 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.3 -22.26 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.843 ' HB3' HD22 ' A' ' 67' ' ' LEU . 12.8 p-90 -94.62 -20.55 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.019 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -69.99 -56.67 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -44.41 -59.36 3.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -74.95 -14.42 21.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.8 tp 38.24 89.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.03 115.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.734 ' OH ' HG23 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -61.27 -11.85 11.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -17.95 63.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.982 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.86 -17.48 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.51 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.2 mt -66.74 -61.74 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.4 -22.73 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -66.02 -39.55 90.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.32 -15.29 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.085 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 2.1 mt -117.29 80.24 12.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.31 3.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.22 40.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.97 1.49 5.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.556 ' O ' HG21 ' A' ' 81' ' ' VAL . 6.7 t80 -152.34 70.18 7.5 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.447 0.734 . . . . 0.0 111.076 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.691 ' HA ' HG21 ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.95 171.3 18.58 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 159.86 -171.04 36.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' O ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -57.03 -31.84 65.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.544 0.791 . . . . 0.0 110.24 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 81' ' ' VAL . 1.2 t -70.53 -58.22 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.814 HG22 HD13 ' A' ' 72' ' ' ILE . 7.1 t -56.3 -39.25 59.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.01 -39.6 78.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.929 HG12 HD12 ' A' ' 34' ' ' LEU . 12.0 mt -70.66 -31.3 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.734 HG23 ' OH ' ' A' ' 65' ' ' TYR . 8.9 mt -80.99 -28.25 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.245 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' VAL . 1.1 m120 -63.02 -37.42 87.1 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 34' ' ' LEU . 13.6 mt -60.04 -37.21 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.752 HD13 ' ND2' ' A' ' 26' ' ' ASN . 29.1 mt -63.77 -43.9 95.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.69 -50.77 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.96 -32.4 63.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -63.31 -17.3 62.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.96 -2.76 55.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.539 ' O ' HG12 ' A' ' 92' ' ' VAL . 58.8 t 63.76 49.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.362 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.46 152.42 72.97 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ALA . 18.1 Cg_endo -75.05 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.4 m 65.93 -75.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 94' ' ' PRO . . . 56.63 88.16 0.13 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -176.88 3.1 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.438 1.757 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.14 139.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -172.18 70.98 0.45 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 160.67 39.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.514 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -72.87 -51.84 6.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 17.9 Cg_endo -75.09 91.66 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 p -116.22 86.39 17.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -173.85 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.9 mt 66.37 134.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.5 m 66.51 153.15 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 108.316 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -39.67 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 77.7 p 44.68 -168.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 37.6 m 58.28 64.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 p -85.48 160.47 53.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.49 3.8 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.427 1.751 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.53 3.81 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.47 16.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.98 23.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.69 39.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 -178.34 4.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.798 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 t -43.53 151.39 0.47 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.011 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 143.87 29.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.0 -51.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 122' ' ' HIS . . . -40.48 -70.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.899 ' O ' HG22 ' A' ' 123' ' ' VAL . 63.1 m80 -161.21 -47.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.545 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 122' ' ' HIS . 3.0 m 55.74 159.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 113.49 3.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.548 ' CE2' ' HB ' ' A' ' 128' ' ' VAL . 24.2 t80 54.38 167.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.548 ' HB ' ' CE2' ' A' ' 127' ' ' TYR . 10.7 p 41.89 35.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 0.2 OUTLIER -52.19 -53.38 52.95 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.3 Cg_endo -74.97 -171.05 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.475 1.776 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 11.3 t -160.92 147.05 14.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.4 m -58.85 102.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.456 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.4 p -41.71 152.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.372 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -177.73 69.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.5 t -76.29 150.0 37.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 108.334 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 48.9 p90 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 111.014 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.7 161.51 37.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.83 61.79 5.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 5' ' ' HIS . 0.8 OUTLIER -176.68 158.32 1.68 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.43 0.724 . . . . 0.0 110.353 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.541 ' C ' ' CG ' ' A' ' 5' ' ' HIS . 24.7 mm 67.97 -70.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.541 ' CG ' ' C ' ' A' ' 4' ' ' ILE . 2.0 p-80 50.82 -100.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.94 -83.52 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.09 -177.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 t 62.87 82.8 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 59.58 5.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.583 1.833 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.5 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -74.38 -51.25 4.48 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.1 Cg_endo -75.15 151.67 39.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.464 1.771 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.8 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -76.13 -47.32 3.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.6 Cg_endo -75.02 117.4 4.89 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 17' ' ' ARG . 1.8 pttm -120.8 -171.2 2.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.807 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . -40.61 -53.18 5.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 15.2 mtm-85 67.99 74.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.353 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.51 142.44 5.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.07 50.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 0.818 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 23' ' ' HIS . 1.5 m 45.43 94.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.76 -45.25 29.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -60.76 -40.7 93.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 20' ' ' SER . 12.5 t-80 -61.16 -45.43 94.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.64 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.9 t-105 -70.82 -43.61 68.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.039 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.5 tp -52.54 -31.08 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.728 ' OD1' HD22 ' A' ' 87' ' ' LEU . 39.7 t30 -68.1 -24.91 65.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.84 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -94.03 -34.27 13.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.909 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 18.3 tp -75.13 -13.93 60.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' TYR . 23.7 mt-30 -82.76 -65.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' C ' HG23 ' A' ' 83' ' ' ILE . . . -51.39 -32.45 26.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -70.05 -31.63 69.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.562 1.164 . . . . 0.0 109.367 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -80.99 -18.51 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -7.84 59.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 86' ' ' ILE . 72.2 mt -96.16 -45.94 6.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 88.2 151.63 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.51 38.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.78 -85.06 0.21 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -172.89 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.535 1.808 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.5 t -60.83 -34.55 74.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.2 140.34 7.45 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.4 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 2.5 m-85 -78.84 2.33 20.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER 54.54 20.02 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -114.86 -13.84 11.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -55.36 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -18.28 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.84 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -86.33 -57.57 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.2 6.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -50.66 9.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.5 t80 -61.32 -38.72 87.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.64 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 12.1 mt -65.59 -53.19 45.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.0 -26.52 62.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.722 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -70.3 -54.51 12.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -60.99 -30.81 70.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -53.28 -30.41 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -8.29 45.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.111 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.5 m -123.87 83.56 54.81 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.372 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 53.58 3.39 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.564 1.823 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.111 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.6 -21.28 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.873 ' HB3' HD22 ' A' ' 67' ' ' LEU . 25.3 p-90 -96.28 -23.43 16.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -67.73 -54.53 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.663 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -47.23 -60.37 4.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.663 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -74.98 -10.25 21.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 36.98 88.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -157.1 117.68 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.498 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -64.51 -9.83 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -33.42 76.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.033 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -83.92 -17.59 40.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.6 mt -65.73 -61.44 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.83 -19.48 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -73.6 -45.46 52.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -53.5 -34.38 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.749 HG23 ' HB2' ' A' ' 76' ' ' TYR . 18.7 mt -52.7 118.4 13.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -75.04 48.56 2.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.56 ' C ' ' O ' ' A' ' 73' ' ' PRO . 7.0 tptp 27.3 89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.76 -2.02 5.6 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.749 ' HB2' HG23 ' A' ' 72' ' ' ILE . 44.1 t80 -35.93 148.14 0.16 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.596 0.821 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.544 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.816 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.9 -173.8 0.2 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 21.7 13.5 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -58.6 -42.83 85.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.612 HG22 HD13 ' A' ' 72' ' ' ILE . 16.7 t -69.41 -39.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -57.53 -30.23 65.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.25 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.741 HG12 HD12 ' A' ' 34' ' ' LEU . 6.8 mt -82.52 -52.01 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.71 HD12 HD11 ' A' ' 72' ' ' ILE . 62.3 mt -61.95 -28.91 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.54 HD21 ' NZ ' ' A' ' 89' ' ' LYS . 12.6 t30 -59.89 -33.97 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 34' ' ' LEU . 7.4 mt -63.96 -34.19 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.728 HD22 ' OD1' ' A' ' 26' ' ' ASN . 20.0 mt -72.4 -43.52 63.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.0 t -70.25 -49.32 55.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.54 ' NZ ' HD21 ' A' ' 85' ' ' ASN . 0.0 OUTLIER -54.26 -20.75 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 22.1 t-20 -80.22 -67.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.731 ' O ' HG12 ' A' ' 92' ' ' VAL . 1.0 OUTLIER 160.65 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 91' ' ' GLN . 8.5 p 50.33 24.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' VAL . 8.6 p -39.22 149.17 0.25 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.398 1.061 . . . . 0.0 109.924 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.49 3.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.4 m -97.38 70.75 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -173.34 89.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.27 27.41 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.37 174.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.671 ' HB3' ' HG3' ' A' ' 102' ' ' PRO . . . 62.88 156.56 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -58.24 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.535 1.808 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 101' ' ' VAL . 7.2 p -148.79 77.96 9.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.671 ' HG3' ' HB3' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -74.93 55.74 4.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.431 1.753 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.9 m -151.29 80.78 6.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 175.76 10.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.809 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 32.1 mm -135.71 135.96 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.2 p -102.79 151.23 38.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.254 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.446 1.761 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.8 m -162.12 -55.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.553 1.158 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.493 ' O ' ' C ' ' A' ' 110' ' ' THR . 0.0 OUTLIER -40.05 -41.1 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.451 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 110' ' ' THR . 11.8 t 31.35 63.12 1.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.367 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.454 ' HD3' HG23 ' A' ' 109' ' ' THR . 18.5 Cg_endo -74.91 154.99 43.36 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 111' ' ' PRO . 18.7 Cg_endo -75.01 113.59 3.83 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.526 1.803 . . . . 0.0 111.071 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 155.06 42.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 163.04 36.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.453 1.765 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.93 25.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.12 129.75 12.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -92.32 154.52 42.91 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.957 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -177.83 3.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 1.3 pm0 -171.08 56.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 120' ' ' GLU . . . 72.78 -60.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -114.99 113.28 23.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.81 HG22 ' HD2' ' A' ' 124' ' ' PRO . 0.3 OUTLIER -127.62 145.89 56.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.81 ' HD2' HG22 ' A' ' 123' ' ' VAL . 18.4 Cg_endo -74.95 113.48 3.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.415 1.744 . . . . 0.0 111.03 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 163.09 36.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.21 30.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -145.54 77.03 1.5 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 129' ' ' GLU . 9.8 p -140.75 172.44 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.568 ' H ' HG22 ' A' ' 128' ' ' VAL . 0.1 OUTLIER 166.45 -55.27 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.2 Cg_endo -75.0 165.68 30.8 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.546 1.814 . . . . 0.0 110.959 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.6 m 64.01 -76.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 130' ' ' PRO . 40.8 p -94.76 90.94 6.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.479 ' O ' ' CG ' ' A' ' 134' ' ' GLN . 81.5 p -78.34 166.59 22.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 133' ' ' THR . 9.7 pt20 47.22 -172.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.89 165.51 10.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 111.029 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt -160.15 82.52 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.3 41.03 6.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.578 1.174 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 38.93 39.99 0.41 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.536 0.786 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 6' ' ' GLY . 12.8 tt -139.37 169.02 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.593 1.183 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 t60 67.81 -70.52 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.56 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' ILE . . . -80.62 63.93 4.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.56 1.162 . . . . 0.0 111.021 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.777 HD22 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -86.13 -17.36 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' LEU . 64.0 p -38.73 99.28 0.19 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.607 ' HD3' HD22 ' A' ' 7' ' ' LEU . 18.3 Cg_endo -74.98 135.5 19.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.439 1.757 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.511 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -57.05 -51.28 82.82 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 95.69 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 12' ' ' ILE . 6.6 mm -148.49 136.53 11.26 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.355 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 12' ' ' ILE . 18.6 Cg_endo -74.89 171.86 17.45 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.573 1.828 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -57.28 -64.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.92 91.98 48.8 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' NH1' HD12 ' A' ' 19' ' ' LEU . 2.6 ttt85 -170.02 143.0 2.43 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -155.68 23.41 0.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.524 HD12 ' NH1' ' A' ' 17' ' ' ARG . 21.1 mt -80.94 76.54 7.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.48 121.48 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.937 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.5 -34.92 62.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -59.34 -49.33 78.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' C ' ' ND1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -59.85 -43.21 94.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.573 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.451 ' CZ3' HD22 ' A' ' 46' ' ' LEU . 26.6 t-105 -67.18 -44.22 80.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 tp -52.16 -34.86 46.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.655 ' O ' HD21 ' A' ' 87' ' ' LEU . 63.4 t30 -64.99 -20.01 66.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.621 1.201 . . . . 0.0 109.318 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.81 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -97.61 -34.88 10.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 14.0 tp -73.99 -26.58 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.58 -55.57 12.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.498 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -56.37 -42.37 77.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.604 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -60.05 -36.5 77.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -76.37 -16.29 59.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.965 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -83.92 -17.61 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.037 HD21 HD11 ' A' ' 86' ' ' ILE . 27.0 mt -93.02 -158.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.6 pm0 -35.45 96.67 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' LEU . 18.2 Cg_endo -74.97 131.37 14.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.24 -172.02 32.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -39.3 -40.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 109.938 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 45.79 -163.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 109.28 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.19 45.79 1.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -92.67 8.63 38.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -93.61 -17.9 22.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.437 1.086 . . . . 0.0 110.981 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.458 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 1.7 pp0? -62.92 -48.53 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.458 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 13.8 pm0 -67.43 -24.54 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.81 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -78.55 -54.9 5.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.1 ttp85 -52.67 -20.17 2.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -35.11 41.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' HG12 ' A' ' 72' ' ' ILE . 23.8 t80 -83.37 -33.63 25.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 6.9 mt -69.24 -51.84 33.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -26.85 46.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.73 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -68.19 -53.2 26.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -61.13 -31.71 71.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -53.07 -32.21 45.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -9.98 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.102 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.7 m -121.44 82.69 39.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 53.4 3.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.102 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.88 -21.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.857 ' HB3' HD22 ' A' ' 67' ' ' LEU . 25.7 p-90 -95.88 -23.25 16.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.582 1.176 . . . . 0.0 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -68.18 -54.3 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.15 -60.17 4.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.331 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.6 Cg_endo -74.94 -9.88 21.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.0 tp 36.62 88.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -160.47 115.62 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.7 t80 -62.28 -12.09 18.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.98 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 t -62.04 -24.42 67.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.007 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -91.93 -18.34 23.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.1 mt -64.8 -61.07 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.34 -20.2 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.1 t -74.35 -43.08 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.398 1.061 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.639 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.76 -40.87 69.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.662 HD13 HG22 ' A' ' 81' ' ' VAL . 14.1 mt -49.52 105.65 0.53 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.93 108.01 2.61 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.423 1.749 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.6 tttm 38.38 62.18 1.03 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.23 155.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.723 ' H ' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.86 170.97 8.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 111.002 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.541 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.6 Cg_endo -74.92 -167.8 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.95 -169.91 0.11 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.28 17.86 21.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.236 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.654 HG22 ' HG ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -61.52 -48.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.723 HG21 ' H ' ' A' ' 76' ' ' TYR . 38.3 t -66.53 -38.91 82.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.9 -33.65 62.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.84 HG12 HD12 ' A' ' 34' ' ' LEU . 7.1 mt -77.65 -19.13 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.632 HD12 HD11 ' A' ' 72' ' ' ILE . 71.1 mt -89.21 -37.2 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -54.01 -29.33 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.037 HD11 HD21 ' A' ' 34' ' ' LEU . 13.1 mt -68.96 -30.58 47.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.655 HD21 ' O ' ' A' ' 26' ' ' ASN . 19.3 mt -74.95 -43.86 51.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.3 t -64.28 -50.55 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -55.21 -24.78 29.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -71.25 -31.15 67.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.729 ' O ' HG12 ' A' ' 92' ' ' VAL . 1.9 mm-40 -73.24 -59.16 2.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 91' ' ' GLN . 8.3 p 50.47 24.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.82 150.29 14.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 139.02 23.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.391 1.732 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.9 m 62.75 174.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.85 92.06 47.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 18.3 Cg_endo -75.01 106.2 2.23 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 97' ' ' PRO . . . 68.38 176.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 98' ' ' ALA . . . 67.75 91.92 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.03 167.91 25.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 101' ' ' VAL . 19.6 m 32.31 87.27 0.11 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 103' ' ' THR . 18.2 Cg_endo -74.95 -62.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.548 1.815 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.36 -53.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.1 Cg_endo -75.05 140.37 25.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.1 mp -128.51 -62.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.468 ' CB ' ' HD3' ' A' ' 107' ' ' PRO . 0.1 OUTLIER 171.18 -56.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 108.283 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 106' ' ' CYS . 18.4 Cg_endo -74.95 121.67 6.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -149.56 148.57 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.7 t -161.78 143.31 11.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.5 m -160.89 80.3 2.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 157.67 42.32 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.05 39.46 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 160.52 40.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 113.55 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.554 1.818 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 178.67 6.96 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 p -41.22 157.45 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 61.24 5.66 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 0.9 OUTLIER -108.56 168.68 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 120' ' ' GLU . . . 69.88 -65.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.406 ' N ' ' O ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER 69.1 -65.27 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.595 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 123' ' ' VAL . 35.4 m -149.08 85.36 5.96 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.19 43.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 113.49 3.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.544 1.812 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 94.41 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 111.078 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.598 ' CD1' HG13 ' A' ' 128' ' ' VAL . 44.7 p90 -103.16 18.04 22.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 127' ' ' TYR . 34.6 m -132.74 129.9 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -149.72 135.68 10.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.87 2.82 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.493 1.786 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.3 p 38.71 85.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.4 m -149.46 -60.22 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 11.1 t -165.46 125.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.468 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -159.82 70.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.195 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.58 70.17 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.36 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.984 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.57 145.39 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.68 59.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -139.43 103.21 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.473 ' O ' ' CD2' ' A' ' 5' ' ' HIS . 1.0 OUTLIER -134.4 56.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 4' ' ' ILE . 16.7 m80 -145.94 146.73 31.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.497 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.2 -71.46 0.42 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.54 42.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.475 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -66.17 -53.39 32.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.019 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.1 Cg_endo -75.02 157.47 42.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.552 1.817 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.567 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -77.35 -47.46 2.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.1 Cg_endo -74.98 -85.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.564 1.823 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -167.37 147.35 4.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.4 Cg_endo -74.94 178.7 6.89 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.5 pttm 40.29 65.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.74 153.71 15.38 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -75.01 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER 83.49 113.31 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.07 -154.13 42.58 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 19' ' ' LEU . 2.5 tt -147.42 59.37 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 0.72 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.0 p 53.11 85.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -38.33 82.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -60.76 -49.32 77.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -58.54 -41.38 85.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.558 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.485 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 32.7 t-105 -70.56 -43.94 68.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 25' ' ' LEU . 4.9 tp -52.79 -29.59 28.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.658 ' O ' HD21 ' A' ' 87' ' ' LEU . 50.2 t30 -67.73 -24.4 65.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.371 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.949 ' CE1' HD21 ' A' ' 46' ' ' LEU . 1.4 t80 -95.46 -36.88 11.16 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.476 1.11 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 12.0 tp -69.17 -25.53 64.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -69.62 -57.81 4.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.516 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . . . -56.69 -36.88 70.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -64.56 -36.51 84.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.171 . . . . 0.0 109.248 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -74.19 -16.25 60.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.943 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -10.99 51.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.069 HD21 HD11 ' A' ' 86' ' ' ILE . 25.0 mt -98.99 -79.15 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 0.6 OUTLIER 161.86 169.04 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' GLY . 18.2 Cg_endo -75.03 55.43 3.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' PRO . . . 37.46 -156.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 t -111.9 154.81 24.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.01 165.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.25 38.29 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -64.23 -14.21 54.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -73.31 -2.36 21.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -68.73 -56.72 7.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' HG3' ' NH1' ' A' ' 79' ' ' ARG . 1.6 mm-40 -59.47 -18.2 37.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.949 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.82 -56.47 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -53.73 -21.19 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -72.92 -36.71 67.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CZ ' HG13 ' A' ' 72' ' ' ILE . 27.9 t80 -83.84 -34.44 24.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD11 HD22 ' A' ' 46' ' ' LEU . 7.7 mt -69.87 -56.36 7.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -28.89 54.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.611 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -65.28 -52.19 55.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.671 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -56.86 -32.34 65.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.0 tp -62.38 -13.86 33.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -74.87 -3.22 30.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 56' ' ' THR . 13.6 t -151.15 96.36 3.27 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 67.73 5.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.439 1.758 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.848 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -118.62 -21.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.1 p-90 -96.23 -20.49 18.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.54 -56.59 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.637 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -44.85 -59.18 4.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.04 -14.26 21.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 63' ' ' ILE . 4.2 tp 39.15 91.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -166.3 113.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -58.84 -14.03 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.5 p -59.57 -23.91 63.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.966 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.004 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -91.22 -17.86 25.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.474 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.6 mt -68.11 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.91 -20.96 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.0 t -76.01 -37.85 57.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.62 -42.01 78.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.899 HD13 HG22 ' A' ' 81' ' ' VAL . 62.1 mt -51.28 123.74 21.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.627 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.97 48.92 2.11 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.494 1.787 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 20.38 92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.228 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.04 -10.64 2.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -45.68 160.19 0.28 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.421 0.718 . . . . 0.0 111.029 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -61.74 177.35 5.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.631 ' C ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER 83.11 -5.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 81' ' ' VAL . 23.1 t -131.46 -82.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.899 HG22 HD13 ' A' ' 72' ' ' ILE . 5.8 t -57.19 -38.97 64.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.28 -17.66 8.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.777 HG12 HD12 ' A' ' 34' ' ' LEU . 5.2 mt -102.12 -37.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.729 HD11 ' HE2' ' A' ' 27' ' ' PHE . 4.0 mt -70.9 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 44.4 p-10 -52.92 -23.63 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.069 HD11 HD21 ' A' ' 34' ' ' LEU . 25.9 mt -77.84 -33.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.658 HD21 ' O ' ' A' ' 26' ' ' ASN . 25.5 mt -69.26 -42.72 75.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.153 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.54 -50.08 69.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -55.39 -30.38 60.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.531 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 51.6 t-20 -68.47 -34.11 75.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.531 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 6.9 pt20 50.04 25.25 1.62 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 p -54.96 -25.13 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.74 156.64 0.13 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.47 22.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 m 70.43 -60.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 62.26 92.01 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 55.84 4.05 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.14 106.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.36 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.17 156.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 57.79 4.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.516 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -60.56 -51.67 78.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -74.97 142.54 28.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.503 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.8 OUTLIER -76.6 -51.27 2.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.4 Cg_endo -74.92 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.576 1.829 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.45 HD12 ' HB2' ' A' ' 102' ' ' PRO . 9.2 mt 70.47 -68.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.237 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 30.0 p -66.5 150.45 97.27 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -83.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 108' ' ' THR . 7.6 t -133.4 52.07 2.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 110' ' ' THR . 2.9 m 60.78 144.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 110' ' ' THR . 10.0 t 32.83 89.32 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.438 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 156.19 43.04 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.953 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 162.66 36.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.5 1.79 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.58 42.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.777 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.51 42.95 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 18.5 Cg_endo -75.0 155.53 42.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.811 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 115' ' ' PRO . 18.4 Cg_endo -74.95 159.45 41.49 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.759 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.11 5.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.0 OUTLIER 168.41 -54.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.1 Cg_endo -75.15 55.92 4.17 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' CD ' ' C ' ' A' ' 119' ' ' PRO . 2.0 pm0 42.31 -164.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.501 ' O ' ' CD2' ' A' ' 122' ' ' HIS . . . -105.01 -50.34 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 121' ' ' ALA . 22.5 p80 47.31 59.19 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.617 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.68 HG13 ' HD2' ' A' ' 124' ' ' PRO . 77.9 t -109.3 142.87 26.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.68 ' HD2' HG13 ' A' ' 123' ' ' VAL . 18.3 Cg_endo -74.96 173.25 14.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.411 ' HG3' ' NE2' ' A' ' 134' ' ' GLN . 18.3 Cg_endo -75.03 157.51 42.63 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -42.31 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.431 1.753 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -127.6 -148.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.621 HG12 ' N ' ' A' ' 129' ' ' GLU . 73.9 t 64.25 -102.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.621 ' N ' HG12 ' A' ' 128' ' ' VAL . 5.1 mm-40 -152.31 84.9 4.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 18.5 Cg_endo -74.93 -18.52 18.86 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 20.1 m -67.28 -91.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.347 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.438 HG22 ' OE1' ' A' ' 129' ' ' GLU . 15.0 t -69.18 174.98 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 135' ' ' CYS . 33.3 p 46.01 -171.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.411 ' NE2' ' HG3' ' A' ' 125' ' ' PRO . 0.0 OUTLIER 69.41 -60.6 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 133' ' ' THR . 0.1 OUTLIER -117.23 -62.74 1.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 108.327 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 44.0 p90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.965 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 48.2 m80 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm -179.62 -55.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.74 -87.76 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 57.72 95.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.2 mt -137.95 107.17 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -170.01 68.79 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.58 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.31 -66.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD22 ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -41.67 157.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.523 ' CB ' HD22 ' A' ' 7' ' ' LEU . 63.3 m 51.72 88.98 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.08 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' PRO . 18.3 Cg_endo -74.94 58.77 4.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 9' ' ' PRO . 91.7 m -36.82 97.73 0.14 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' ILE . 18.3 Cg_endo -75.01 -161.64 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.811 . . . . 0.0 110.991 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.488 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -38.99 -52.96 3.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.02 146.35 32.48 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.448 1.762 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.622 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -140.31 -47.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.834 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 167.24 -54.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.625 1.203 . . . . 0.0 109.216 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.834 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.98 58.03 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.19 157.42 34.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.197 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.14 -105.06 0.26 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.731 HD13 ' HZ3' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -122.16 60.39 0.99 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 0.801 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.454 ' OG ' ' CG ' ' A' ' 23' ' ' HIS . 53.1 p 59.2 115.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.157 . . . . 0.0 109.948 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -31.88 64.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 110.451 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -51.15 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.454 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 61.0 m170 -59.11 -41.81 89.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 45.0 t-105 -67.8 -43.68 79.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 25' ' ' LEU . 5.1 tp -52.96 -30.83 37.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.708 ' O ' HD21 ' A' ' 87' ' ' LEU . 11.3 t-20 -67.93 -19.14 64.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.848 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -97.44 -33.44 11.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 28' ' ' LEU . 12.6 tp -77.27 -26.9 52.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.49 -56.36 7.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB2' HD21 ' A' ' 87' ' ' LEU . . . -54.49 -36.79 64.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.773 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -70.34 -26.98 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.96 -17.77 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.965 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.14 -25.32 25.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.848 HD21 HD11 ' A' ' 86' ' ' ILE . 26.9 mt -58.8 -48.74 80.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 80.42 99.18 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HG3' ' CE2' ' A' ' 41' ' ' PHE . 18.3 Cg_endo -75.0 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.84 -86.2 0.66 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.406 1.066 . . . . 0.0 111.052 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.07 17.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.21 179.48 7.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.627 ' H ' ' NH2' ' A' ' 79' ' ' ARG . 5.3 p-10 -115.85 -159.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 19.3 m-85 -121.35 -45.49 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 41' ' ' PHE . 4.0 t0 84.3 71.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -56.42 -18.09 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -52.66 56.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -61.69 -12.4 16.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.848 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -90.89 -54.93 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -56.92 -24.87 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 49' ' ' PHE . 8.2 ptm180 -84.49 -42.29 15.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' CE2' ' A' ' 76' ' ' TYR . 34.2 t80 -60.53 -39.01 86.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 12.7 mt -70.15 -54.46 12.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.02 60.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.576 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.8 tt -67.12 -53.98 25.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.656 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.92 -31.77 63.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.0 tp -62.54 -13.66 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -73.14 -4.51 33.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 56' ' ' THR . 13.5 t -150.2 96.45 3.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 67.99 5.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.427 1.751 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.853 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.41 -22.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.824 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.0 p-90 -94.7 -23.14 17.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.01 -55.28 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.65 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.92 -59.93 3.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.04 -11.02 21.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.514 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.7 tp 37.83 89.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.56 115.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.605 ' CD2' HD12 ' A' ' 68' ' ' LEU . 9.6 t80 -61.74 -11.8 13.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.083 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -60.67 -22.56 64.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.4 tt -92.07 -17.19 25.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD12 ' CD2' ' A' ' 65' ' ' TYR . 4.9 mt -69.94 -62.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.15 -21.48 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.4 t -71.08 -38.59 72.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.559 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.33 -41.82 85.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.839 HD11 HD12 ' A' ' 84' ' ' ILE . 6.4 mt -54.74 112.24 3.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.96 48.2 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.542 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.8 OUTLIER 29.43 89.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.614 1.197 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 132.46 -3.24 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.783 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -37.53 154.75 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.51 0.77 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.01 -168.52 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 48.59 -172.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.627 ' NH2' ' H ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -100.64 20.0 15.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -57.01 -42.89 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.562 HG22 HD13 ' A' ' 72' ' ' ILE . 8.6 t -74.85 -38.92 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -58.55 -15.39 11.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.773 HG21 ' HB2' ' A' ' 31' ' ' ALA . 4.4 mt -101.73 -45.73 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.438 1.087 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.839 HD12 HD11 ' A' ' 72' ' ' ILE . 86.0 mt -67.27 -34.23 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 28.4 p-10 -55.85 -25.65 43.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.848 HD11 HD21 ' A' ' 34' ' ' LEU . 13.5 mt -73.47 -30.52 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.708 HD21 ' O ' ' A' ' 26' ' ' ASN . 18.8 mt -74.12 -44.32 54.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.9 t -63.64 -49.87 80.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -14.83 62.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -63.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 177.89 56.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 92' ' ' VAL . 29.2 t -144.79 50.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.388 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -120.74 78.1 29.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 57.72 4.7 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 56.7 p -165.09 141.22 5.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.48 156.25 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -164.78 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.19 -173.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . 61.65 161.57 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 18.2 Cg_endo -75.05 173.7 14.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 101' ' ' VAL . 5.3 p -167.57 67.11 0.83 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 135.57 19.43 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.766 HG22 ' HD2' ' A' ' 104' ' ' PRO . 1.7 m -80.81 147.0 61.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.766 ' HD2' HG22 ' A' ' 103' ' ' THR . 18.4 Cg_endo -74.98 -37.84 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 110.993 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 mm -73.68 -62.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 13.6 t -71.52 118.49 66.77 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 108.281 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 m -150.51 -75.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.434 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 72.8 p 38.89 59.67 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.575 ' N ' ' CD ' ' A' ' 111' ' ' PRO . 0.2 OUTLIER -65.22 -47.34 71.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.04 156.35 42.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.771 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.53 3.81 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 157.04 42.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 0.0 110.943 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 157.24 42.92 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.561 1.822 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.35 43.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -54.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.77 151.15 0.11 Allowed Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -58.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 39.23 62.09 1.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.43 178.03 7.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.409 ' C ' HG22 ' A' ' 123' ' ' VAL . 9.7 m170 67.49 174.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.654 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.42 ' N ' ' HD3' ' A' ' 124' ' ' PRO . 18.8 m 40.51 64.48 4.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 123' ' ' VAL . 18.3 Cg_endo -75.0 159.31 41.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.453 1.765 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.52 3.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -7.56 19.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.587 1.835 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -167.29 167.53 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.555 ' O ' ' CG ' ' A' ' 129' ' ' GLU . 66.6 t -129.23 79.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.555 ' CG ' ' O ' ' A' ' 128' ' ' VAL . 2.0 pt-20 54.63 158.98 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 58.72 4.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.55 1.816 . . . . 0.0 111.013 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.736 HG23 ' N ' ' A' ' 132' ' ' THR . 1.1 t 40.8 -161.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.736 ' N ' HG23 ' A' ' 131' ' ' THR . 14.7 t -55.69 127.79 31.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.473 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.2 t -66.17 151.17 47.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 67.22 130.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.8 m -79.32 66.56 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.285 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 2' ' ' GLY . 15.7 p-80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt 66.76 -68.76 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 0' ' ' HIS . . . 125.27 80.03 0.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -142.41 58.0 1.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.781 . . . . 0.0 110.277 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.5 pt 44.73 -167.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -146.51 113.83 6.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.599 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.11 -131.07 3.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.149 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 tp 63.83 146.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.78 88.45 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 79.2 2.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.721 ' OG1' HD13 ' A' ' 12' ' ' ILE . 2.8 p -137.84 158.35 71.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.44 4.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.721 HD13 ' OG1' ' A' ' 10' ' ' THR . 1.3 mp -73.98 -51.9 4.71 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.3 Cg_endo -75.01 58.64 4.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.475 1.776 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 4.4 ptpt -39.86 -47.11 2.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.859 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 165.27 -55.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.859 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.78 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HG3' ' HA ' ' A' ' 13' ' ' PRO . 0.8 OUTLIER 54.66 74.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' SER . . . -68.04 -84.01 0.13 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.064 HD23 HD11 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -52.94 91.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' GLY . 5.5 t -129.64 -81.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.987 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -170.15 -40.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.438 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -62.83 -13.26 31.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' CG ' HD11 ' A' ' 63' ' ' ILE . 49.3 m80 -102.68 -38.83 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.834 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 24.2 t-105 -72.79 -43.72 62.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 108.054 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 9.3 tp -53.27 -29.24 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.894 ' OD1' HD13 ' A' ' 87' ' ' LEU . 18.3 t-20 -67.91 -20.98 65.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.17 ' CE1' HD21 ' A' ' 46' ' ' LEU . 1.5 t80 -100.77 -35.91 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 12.3 tp -69.26 -30.82 69.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -61.84 -48.64 79.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -63.31 -45.2 92.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.226 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.703 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -19.57 61.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -79.79 -22.37 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.818 HD21 HD11 ' A' ' 86' ' ' ILE . 8.9 mt -83.75 -159.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER 161.2 -51.14 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.255 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' O ' ' CZ ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -74.97 92.73 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.01 -158.9 14.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.3 Cg_endo -75.04 132.15 15.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER 159.36 -50.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 41' ' ' PHE . 6.5 t70 -101.29 141.45 34.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER 73.14 19.76 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -125.46 -84.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER 66.36 0.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' A' ' 42' ' ' ASP . 11.7 tt0 -85.88 -59.11 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -16.94 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.17 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -82.21 -54.7 5.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -21.11 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 110.224 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -69.9 -48.79 57.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 32.7 t80 -66.49 -36.74 83.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.834 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 16.6 mt -70.39 -58.81 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 -26.09 38.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -69.45 -55.47 10.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.64 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -56.09 -31.3 63.1 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.213 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.6 tp -62.79 -13.94 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -70.39 -7.06 40.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 56' ' ' THR . 12.4 t -150.55 97.51 3.3 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.428 1.08 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 68.64 5.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.868 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -118.99 -21.49 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.842 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.1 p-90 -95.25 -22.23 17.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.064 HD11 HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -69.24 -56.33 7.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.661 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -44.81 -59.92 3.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -74.94 -13.19 21.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.379 1.726 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.524 HD11 ' CG ' ' A' ' 23' ' ' HIS . 2.6 tp 38.24 88.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -160.01 116.89 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.614 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 7.1 t80 -62.38 -11.47 15.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.069 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -25.18 68.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.988 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -90.77 -18.65 24.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.525 ' HA ' HD23 ' A' ' 68' ' ' LEU . 4.8 mt -67.67 -61.79 1.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.61 3.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.0 t -73.54 -25.72 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -74.18 -0.98 18.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.847 HG21 HG22 ' A' ' 81' ' ' VAL . 10.3 mt -117.21 79.3 11.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.444 ' HD2' ' CE1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 99.35 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER 77.0 151.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.84 116.94 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -93.77 -178.27 0.81 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.98 179.73 5.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.829 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.36 -170.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.501 ' CZ ' ' O ' ' A' ' 36' ' ' PRO . 10.6 mtt180 -101.61 20.83 15.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 110.292 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.602 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -58.17 -44.89 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.847 HG22 HG21 ' A' ' 72' ' ' ILE . 54.9 t -66.94 -39.47 83.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 79' ' ' ARG . 1.4 mt-10 -54.95 -29.14 55.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.703 HG23 ' N ' ' A' ' 31' ' ' ALA . 9.7 mt -80.79 -17.96 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.607 HD12 HD12 ' A' ' 72' ' ' ILE . 28.3 mt -96.72 -37.75 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -55.35 -28.66 55.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.818 HD11 HD21 ' A' ' 34' ' ' LEU . 12.1 mt -67.55 -38.07 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.245 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.894 HD13 ' OD1' ' A' ' 26' ' ' ASN . 30.4 mt -66.39 -42.98 87.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.233 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 92' ' ' VAL . 5.6 t -67.74 -48.64 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.28 -3.11 31.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.49 ' ND2' ' NE2' ' A' ' 91' ' ' GLN . 48.2 t30 -57.47 -39.74 77.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.49 ' NE2' ' ND2' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 167.46 73.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.665 ' HA ' ' HB2' ' A' ' 96' ' ' ALA . 30.3 m -120.79 -42.3 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.484 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -39.75 -52.84 4.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 93' ' ' SER . 18.2 Cg_endo -75.0 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.1 p -140.49 135.87 32.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.665 ' HB2' ' HA ' ' A' ' 92' ' ' VAL . . . -131.04 85.87 53.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -80.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -174.86 82.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.825 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . -44.3 -53.86 13.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.231 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.825 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.4 Cg_endo -74.97 134.3 17.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.408 1.741 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 m -132.56 155.63 81.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.75 6.85 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.51 1.795 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -38.85 154.55 0.15 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 106' ' ' CYS . 18.3 Cg_endo -75.11 56.17 4.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.586 1.835 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.4 mm 67.38 -73.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' PRO . 17.8 m -124.11 160.6 51.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 178.3 7.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -156.77 -61.08 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.8 t -39.97 138.5 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.401 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 1.8 t 38.84 64.51 3.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.02 160.93 39.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 161.01 39.62 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.081 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 157.73 42.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.0 42.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 173.85 13.76 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.421 1.748 . . . . 0.0 111.066 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 m -170.51 152.55 3.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.037 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -179.21 4.78 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.456 1.766 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 2.9 mp0 -45.12 -59.29 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 120' ' ' GLU . . . 69.74 -65.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.238 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 120' ' ' GLU . 8.2 t60 70.27 -61.38 0.46 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.521 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.417 HG12 ' C ' ' A' ' 122' ' ' HIS . 3.6 p 40.9 74.5 0.72 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 111.051 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.72 30.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 83.08 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -150.05 -45.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 1.4 m -116.4 53.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -177.02 75.14 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 131' ' ' THR . 18.0 Cg_endo -75.03 55.92 4.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 110.929 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.598 HG23 ' H ' ' A' ' 132' ' ' THR . 0.0 OUTLIER 29.25 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.371 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.598 ' H ' HG23 ' A' ' 131' ' ' THR . 3.2 m -106.45 -65.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.2 t -137.88 145.27 41.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.425 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -175.32 -51.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.314 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 8.4 t 73.69 163.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 108.34 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.2 ttp -178.54 -56.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 37.85 74.72 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.803 ' C ' HD13 ' A' ' 4' ' ' ILE . 28.9 mm-40 -63.52 89.65 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 0.729 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.803 HD13 ' C ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 40.48 -158.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -47.15 106.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.1 66.04 0.39 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.29 122.48 9.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 0.765 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.74 158.19 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.015 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 88.81 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.501 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -75.86 -51.29 2.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 110.429 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.0 106.3 2.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -75.02 -51.92 3.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.1 -57.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.422 1.748 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.49 -63.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.49 76.94 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.0 -41.12 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.76 90.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -106.75 57.27 0.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD11 ' HH2' ' A' ' 59' ' ' TRP . 4.4 mt -152.88 92.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.187 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -136.44 -95.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.013 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.594 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 4.2 m -132.52 164.68 26.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.618 1.198 . . . . 0.0 110.443 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 88.11 -15.18 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.569 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.3 OUTLIER -119.62 -51.8 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.596 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.965 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 30.4 t-105 -69.76 -43.2 72.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.587 1.179 . . . . 0.0 107.998 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.4 tp -52.36 -35.41 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 87' ' ' LEU . 18.4 t-20 -62.34 -25.81 68.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.651 ' CZ ' HD11 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -94.79 -34.28 12.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 21.8 tp -78.25 -24.3 46.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' LEU . 28.6 mt-30 -70.62 -59.28 2.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -55.18 -44.4 75.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.06 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -83.67 -18.03 39.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.47 -18.85 28.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.731 HD21 HD13 ' A' ' 86' ' ' ILE . 4.0 mt -70.62 -133.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.56 102.42 0.25 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 85.86 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.46 1.768 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.67 -166.62 39.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.96 86.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 41' ' ' PHE . 4.4 m-20 -77.79 -171.67 2.33 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 5.5 t80 71.05 53.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -139.94 15.3 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -114.18 -24.99 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -41.96 85.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.84 61.64 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.897 HD22 ' CH2' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -82.74 -56.16 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -52.99 -19.76 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -82.2 -37.05 26.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.246 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 32.0 t80 -72.92 -41.51 64.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.965 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 15.3 mt -68.28 -53.87 21.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -55.5 -24.75 33.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 109.343 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.762 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.4 tt -72.0 -59.31 2.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -53.73 -29.6 40.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -64.26 -11.75 34.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.85 -0.71 25.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.429 1.08 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 56' ' ' THR . 14.2 t -152.83 95.76 3.0 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 67.81 5.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.503 1.791 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.861 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.8 -22.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.812 ' HB3' HD22 ' A' ' 67' ' ' LEU . 12.4 p-90 -94.98 -21.71 18.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -70.54 -54.14 13.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.089 . . . . 0.0 109.241 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.65 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -46.02 -59.49 4.71 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.65 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -10.67 21.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.542 1.812 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.7 tp 37.23 89.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -166.08 114.47 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.606 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.4 t80 -59.07 -15.16 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -23.78 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.974 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -93.36 -19.13 21.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.3 mt -69.46 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.25 -20.52 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.83 -39.69 72.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.02 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.71 -41.29 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.812 HD11 HD12 ' A' ' 84' ' ' ILE . 4.7 mt -55.03 116.21 10.84 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.95 47.0 1.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 29.02 89.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 131.94 -2.47 5.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.756 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -36.79 155.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 111.041 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.07 -168.95 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.762 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.74 -174.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.34 20.61 16.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.594 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.0 OUTLIER -59.49 -45.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.615 HG22 HD13 ' A' ' 72' ' ' ILE . 10.1 t -68.25 -39.49 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.89 -23.83 33.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 110.236 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 80' ' ' VAL . 3.9 mt -92.08 -49.22 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.812 HD12 HD11 ' A' ' 72' ' ' ILE . 72.0 mt -59.85 -43.74 92.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -51.68 -36.85 48.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.208 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.731 HD13 HD21 ' A' ' 34' ' ' LEU . 11.8 mt -67.16 -24.8 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 26' ' ' ASN . 34.8 mt -74.53 -45.56 44.9 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.416 1.072 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.494 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 7.6 t -63.72 -49.92 80.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.47 -19.71 10.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.63 26.54 7.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -98.8 -28.83 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 110.286 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 78.5 t -70.79 -58.29 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.3 t 60.0 93.57 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 55.74 3.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p 60.9 145.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 58.38 160.05 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -25.32 11.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -122.66 146.89 47.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -171.56 71.99 0.49 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.08 2.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.842 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.4 OUTLIER -172.95 145.9 1.35 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.842 ' HD2' HG22 ' A' ' 101' ' ' VAL . 17.9 Cg_endo -75.0 125.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 48.2 m -118.72 79.94 16.96 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.359 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 115.14 4.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.626 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -107.13 173.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 34.8 m 62.24 150.53 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.28 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -33.72 4.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 108' ' ' THR . 4.6 t -174.57 77.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.436 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.2 m -152.55 106.32 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.2 m 59.84 86.12 0.16 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.377 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 18.4 Cg_endo -75.04 155.67 42.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.47 1.774 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 112' ' ' PRO . 18.2 Cg_endo -74.95 155.16 43.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 113.47 3.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.41 1.742 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 120' ' ' GLU . 18.5 Cg_endo -74.97 113.44 3.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 111.033 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.661 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 17.8 Cg_endo -75.09 -82.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.535 1.808 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.3 OUTLIER -50.25 -51.86 59.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.4 Cg_endo -75.08 139.57 24.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 120' ' ' GLU . 0.9 OUTLIER 32.95 40.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 117' ' ' PRO . . . -40.01 -72.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 12.5 p80 -136.93 101.8 4.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.641 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' HIS . 11.3 m -39.43 99.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 122' ' ' HIS . 18.5 Cg_endo -74.98 155.53 43.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 165.31 31.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.432 1.754 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -175.06 166.96 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 128' ' ' VAL . 7.8 p -40.56 113.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 0.1 OUTLIER -78.82 -54.67 1.06 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.212 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.3 Cg_endo -74.9 -172.01 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 111.057 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.75 HG23 ' N ' ' A' ' 132' ' ' THR . 1.1 t 40.73 -161.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.75 ' N ' HG23 ' A' ' 131' ' ' THR . 1.7 m 60.16 148.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 135' ' ' CYS . 1.4 t -58.37 -34.67 70.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.736 ' H ' HG22 ' A' ' 132' ' ' THR . 14.7 mm100 65.87 -73.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 133' ' ' THR . 1.6 p -121.51 -55.43 1.93 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 108.312 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 1' ' ' MET . 8.0 p80 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.484 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 17.4 ptp 43.05 -166.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.56 -147.51 10.77 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.66 -46.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 0.799 . . . . 0.0 110.266 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.0 mt -134.05 132.51 56.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.3 t60 68.44 161.8 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.62 61.01 1.91 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.435 1.084 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.4 -49.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.489 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -44.12 -52.76 15.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.977 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.515 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 18.3 Cg_endo -75.05 62.22 5.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.405 1.739 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.512 ' C ' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -81.65 -51.81 0.82 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.5 Cg_endo -74.94 -41.96 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 111.072 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -36.3 -58.18 1.0 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.515 ' CD ' ' O ' ' A' ' 9' ' ' PRO . 18.3 Cg_endo -74.95 60.11 5.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -163.05 124.04 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.835 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . -76.53 -53.78 1.94 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.835 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 -89.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 54.07 81.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.642 ' O ' HD11 ' A' ' 60' ' ' LEU . . . 144.18 -66.23 0.45 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.51 90.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.554 ' OG ' ' CG ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -39.37 147.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.049 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -67.96 -66.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' N ' HG22 ' A' ' 21' ' ' THR . 1.7 m80 -41.22 -35.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.601 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.554 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 3.9 m-70 -64.17 -50.19 69.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.593 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.994 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 35.8 t-105 -70.16 -43.91 69.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 25' ' ' LEU . 9.2 tp -53.6 -27.68 28.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.651 ' O ' HD21 ' A' ' 87' ' ' LEU . 18.3 t-20 -71.01 -18.66 62.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.779 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -100.53 -34.19 10.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.5 tp -74.12 -21.93 59.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -74.51 -58.35 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -54.7 -35.76 63.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -71.3 -22.39 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.86 -22.65 27.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -82.0 -8.06 59.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 86' ' ' ILE . 89.6 mt -95.83 -107.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.52 91.06 46.8 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.369 1.043 . . . . 0.0 110.319 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 140.12 25.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' HA2' ' HD3' ' A' ' 38' ' ' PRO . . . 140.12 139.55 3.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.3 Cg_endo -74.97 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.432 1.754 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 0.8 OUTLIER 85.1 -71.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -51.37 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CG ' ' C ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER 163.0 48.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -73.37 -56.34 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -90.65 -9.96 44.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -79.01 -64.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -12.52 24.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.779 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.52 -40.77 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -63.12 -21.84 66.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -71.68 -34.02 69.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 31.1 t80 -73.58 -34.79 65.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.994 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 30.0 mt -70.82 -57.43 4.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -26.3 30.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.676 HD13 ' OH ' ' A' ' 76' ' ' TYR . 3.9 tt -69.0 -56.51 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.653 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -54.62 -30.37 54.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -62.59 -13.75 34.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -74.77 -3.12 29.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 56' ' ' THR . 13.5 t -150.62 95.41 3.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 67.81 5.92 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.87 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.62 -21.95 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.84 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.5 p-90 -94.91 -22.71 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD11 ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -67.96 -55.71 11.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.657 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -45.64 -60.18 3.7 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.657 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.99 -12.04 21.53 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.464 1.771 . . . . 0.0 110.925 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.8 tp 38.03 89.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.6 117.29 3.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.494 ' CD1' HD12 ' A' ' 68' ' ' LEU . 25.9 t80 -66.06 -7.7 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -70.65 -26.85 63.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.006 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -83.64 -17.91 39.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.494 HD12 ' CD1' ' A' ' 65' ' ' TYR . 5.8 mt -69.46 -62.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.17 -20.76 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 t -68.65 -38.51 80.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.41 -44.28 92.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.866 HD11 HD12 ' A' ' 84' ' ' ILE . 3.8 mt -50.31 112.73 2.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 47.87 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.444 1.76 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 30.11 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 130.38 -2.22 5.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.736 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -37.21 153.98 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.589 0.817 . . . . 0.0 111.052 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.443 1.759 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 50.68 -172.95 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' O ' HD12 ' A' ' 83' ' ' ILE . 53.8 mtp85 -98.5 20.02 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 0.73 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -59.67 -43.93 92.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 10.6 t -72.01 -40.3 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -28.91 62.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.817 HG12 HD12 ' A' ' 34' ' ' LEU . 6.1 mt -87.25 -60.49 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.866 HD12 HD11 ' A' ' 72' ' ' ILE . 56.1 mt -55.45 -23.79 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.632 1.207 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 81' ' ' VAL . 11.2 t-20 -66.34 -27.28 67.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.22 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.975 HD11 HD21 ' A' ' 34' ' ' LEU . 15.6 mt -73.34 -22.62 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 26' ' ' ASN . 22.8 mt -80.42 -47.78 13.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.984 HG13 HG21 ' A' ' 92' ' ' VAL . 8.1 t -63.36 -49.52 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.97 -18.25 12.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -75.59 -63.22 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.682 ' O ' HG12 ' A' ' 92' ' ' VAL . 3.7 mp0 -131.12 -82.04 0.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.984 HG21 HG13 ' A' ' 88' ' ' VAL . 0.4 OUTLIER 86.16 22.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.259 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.499 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.5 OUTLIER 164.57 -56.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.3 Cg_endo -75.02 2.83 6.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.971 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.413 ' HA ' ' CG ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -45.7 -56.74 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.997 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -175.39 91.77 0.29 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.27 37.91 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.787 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.615 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . 61.89 174.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.816 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . 167.66 -54.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.816 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -74.95 -54.36 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.784 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 m -54.09 157.39 4.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.43 11.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.447 1.762 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.12 155.51 33.55 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.781 ' O ' HG22 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -48.85 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.479 1.778 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.781 HG22 ' O ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER 53.14 171.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.362 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.672 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER 56.07 167.31 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 108.347 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 139.17 23.89 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.4 p 38.73 -154.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.431 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 111' ' ' PRO . 17.7 m -152.15 148.63 27.85 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.511 1.132 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' THR . 19.6 m -36.72 97.71 0.14 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 109' ' ' THR . 18.4 Cg_endo -75.06 113.56 3.82 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.78 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.74 24.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.566 1.824 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.5 3.81 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.547 1.814 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 159.87 40.88 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.422 1.748 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 159.86 41.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 165.68 30.66 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.5 p -102.44 152.32 38.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.945 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.84 88.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -45.89 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.718 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.0 t-160 -139.86 -70.77 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 0.0 109.611 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 122' ' ' HIS . 0.9 OUTLIER 162.88 -51.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 123' ' ' VAL . 18.4 Cg_endo -75.0 155.53 42.95 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.6 Cg_endo -74.9 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.06 18.48 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 128' ' ' VAL . 0.1 OUTLIER 41.27 35.26 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.949 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.737 HG13 ' N ' ' A' ' 129' ' ' GLU . 0.4 OUTLIER 45.97 -170.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.737 ' N ' HG13 ' A' ' 128' ' ' VAL . 31.4 tt0 -163.53 89.31 1.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.09 27.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.3 m -61.57 116.68 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.348 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.2 p -139.92 -57.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.74 HG23 ' N ' ' A' ' 134' ' ' GLN . 1.1 t 40.88 -161.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.447 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.74 ' N ' HG23 ' A' ' 133' ' ' THR . 0.0 OUTLIER -171.38 -40.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 33.9 m -81.0 84.9 6.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 48.5 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.953 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.74 113.36 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -39.42 -50.33 3.0 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' HIS . 0.2 OUTLIER -65.62 162.66 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 5' ' ' HIS . 8.3 mm 65.91 -75.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.499 ' N ' HG22 ' A' ' 4' ' ' ILE . 10.8 m80 -160.64 92.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.57 54.79 4.39 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.544 1.153 . . . . 0.0 110.954 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -175.51 -65.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.6 m 65.29 80.62 0.23 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' PRO . 18.1 Cg_endo -75.05 126.32 9.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' PRO . 68.0 p -36.88 97.69 0.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 12' ' ' ILE . 18.4 Cg_endo -74.98 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.515 ' C ' ' O ' ' A' ' 11' ' ' PRO . 0.9 OUTLIER 31.93 63.85 1.18 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.328 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.05 -37.83 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.543 1.812 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER 69.89 -63.28 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.49 99.85 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' LYS . 18.3 Cg_endo -74.97 55.81 4.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 63.23 107.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.38 -74.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.601 ' CD2' HD11 ' A' ' 60' ' ' LEU . 25.3 mt -138.66 49.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m 38.45 -150.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 109.94 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 22' ' ' HIS . 93.0 m -143.08 173.6 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.492 ' N ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER 81.92 -52.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 109.598 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -64.3 -49.71 70.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.573 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.585 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 46.4 t-105 -68.89 -43.99 74.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 107.958 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -52.89 -29.09 26.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 60.2 t30 -69.52 -22.43 63.58 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.106 ' CE1' HD21 ' A' ' 46' ' ' LEU . 7.0 t80 -91.93 -37.64 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 28' ' ' LEU . 7.5 tp -67.63 -30.55 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -67.96 -51.29 49.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.17 92.51 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.766 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -63.03 -14.18 44.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.0 -20.35 18.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 8.3 tpm_? -83.66 -28.03 28.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.02 HD21 HD11 ' A' ' 86' ' ' ILE . 36.4 mt -76.04 -159.74 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -60.19 139.04 91.54 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 35' ' ' GLN . 18.1 Cg_endo -74.99 -168.04 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.483 ' N ' ' CZ ' ' A' ' 41' ' ' PHE . . . 178.04 171.12 41.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 t -38.8 -66.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.07 129.65 34.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CZ ' ' N ' ' A' ' 37' ' ' GLY . 2.5 m-85 -110.99 26.14 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.98 35.43 2.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 41' ' ' PHE . 24.3 m-85 -67.38 -7.68 26.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -55.68 12.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -18.71 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.225 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.106 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -84.36 -56.6 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.42 -23.9 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.0 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' HG12 ' A' ' 72' ' ' ILE . 9.6 t80 -79.07 -38.14 37.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.585 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -67.07 -47.19 72.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -30.14 69.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.69 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -64.41 -51.29 63.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' A' ' 71' ' ' LEU . . . -61.3 -29.07 69.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.7 tp -54.23 -22.6 12.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -76.11 -5.3 45.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.36 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.13 HG22 ' CG2' ' A' ' 58' ' ' ILE . 2.8 m -128.29 86.39 58.02 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.18 . . . . 0.0 110.384 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 53.28 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.13 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.27 -21.9 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.794 ' HB3' HD22 ' A' ' 67' ' ' LEU . 26.9 p-90 -95.48 -21.65 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 107.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.601 HD11 ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.29 -52.52 22.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.54 -59.6 5.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.04 -4.96 16.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.448 1.762 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 36.36 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -166.93 114.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 27' ' ' PHE . 1.4 t80 -65.2 -8.47 17.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.448 ' OG ' ' NE2' ' A' ' 91' ' ' GLN . 16.2 m -62.56 -20.51 64.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.56 -17.29 23.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.672 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.7 mt -65.76 -60.51 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.85 -21.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.7 t -76.1 -43.65 42.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.678 HD22 ' HA ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -55.22 -42.76 73.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.175 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 84' ' ' ILE . 41.4 mt -37.27 97.59 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.592 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.09 99.64 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 69.07 134.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -36.01 121.4 0.61 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.625 ' CD2' HG23 ' A' ' 72' ' ' ILE . 0.9 OUTLIER -87.46 168.16 18.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 110.988 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.76 -170.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -104.05 19.6 19.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 0.775 . . . . 0.0 110.253 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.849 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -58.39 -47.76 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.501 HG22 HD13 ' A' ' 72' ' ' ILE . 40.9 t -61.5 -38.06 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.59 -35.05 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 80' ' ' VAL . 8.4 mt -70.29 -13.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -100.98 -42.2 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -53.8 -24.83 16.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.02 HD11 HD21 ' A' ' 34' ' ' LEU . 16.9 mt -74.14 -37.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 26' ' ' ASN . 13.3 mt -71.77 -42.59 66.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.0 t -61.97 -49.6 83.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -61.99 -14.42 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.368 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.87 35.53 4.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.664 ' C ' HG12 ' A' ' 92' ' ' VAL . 2.1 mm100 -78.4 -64.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.715 ' O ' HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER 168.57 73.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.465 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.1 OUTLIER 163.55 -54.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.4 Cg_endo -74.96 -4.28 15.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.612 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -39.43 -43.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.037 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . 168.31 -54.74 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 18.3 Cg_endo -74.95 93.4 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -154.68 -61.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.42 154.57 50.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.372 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.48 40.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -75.2 -51.88 3.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -75.05 -178.04 3.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.1 p -139.85 157.75 69.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.9 10.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.31 -47.03 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 31.0 p -128.91 156.22 78.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 108.271 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.34 4.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.564 1.823 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.91 HG22 HG23 ' A' ' 109' ' ' THR . 53.5 m -61.44 161.67 9.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.404 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.91 HG23 HG22 ' A' ' 108' ' ' THR . 71.8 p 44.47 -168.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 m 39.81 68.76 2.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.1 43.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.421 1.748 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.55 3.82 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 170.55 20.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 18.2 Cg_endo -75.12 155.12 42.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 118' ' ' SER . 18.4 Cg_endo -74.98 -176.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER 162.29 -52.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.0 Cg_endo -75.08 -42.52 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 122' ' ' HIS . 12.2 pt-20 -53.54 -171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 120' ' ' GLU . . . 68.17 -69.84 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.384 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 120' ' ' GLU . 8.7 t60 -76.04 -72.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.624 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 122' ' ' HIS . 79.5 t -39.48 99.86 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 122' ' ' HIS . 18.3 Cg_endo -75.01 171.72 17.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.42 1.747 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 158.59 42.12 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 1.018 ' O ' HG23 ' A' ' 128' ' ' VAL . 18.1 Cg_endo -75.02 89.72 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.689 ' CD1' ' N ' ' A' ' 127' ' ' TYR . 0.1 OUTLIER 35.97 -90.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 111.019 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 1.018 HG23 ' O ' ' A' ' 126' ' ' PRO . 65.3 t 67.69 -64.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 2.9 mt-10 -38.68 -56.02 2.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.759 ' O ' HG23 ' A' ' 131' ' ' THR . 18.2 Cg_endo -74.96 98.36 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 130' ' ' PRO . 1.2 p -161.54 178.64 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.365 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 134' ' ' GLN . 11.5 p 38.74 -155.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 135' ' ' CYS . 6.7 m 63.42 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.46 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' THR . 2.0 pt20 38.58 -97.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.232 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.43 ' N ' ' O ' ' A' ' 133' ' ' THR . 31.9 p -70.14 133.41 47.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 14.8 t80 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 10.6 t60 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptp 178.89 -35.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.26 172.5 37.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.809 ' C ' HD13 ' A' ' 4' ' ' ILE . 11.8 pt20 -165.52 55.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.809 HD13 ' C ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 40.5 -158.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -68.45 127.12 31.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.608 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.712 ' C ' HD23 ' A' ' 7' ' ' LEU . . . 37.82 -106.37 0.05 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.846 HD12 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -161.11 -72.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER 167.38 -54.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.846 ' HD2' HD12 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.99 -169.27 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 10' ' ' THR . 15.2 t -165.88 67.39 1.11 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 97.62 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.513 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -67.36 -51.95 31.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.01 139.16 23.93 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm 52.81 87.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.825 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . -63.18 -54.55 44.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.825 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.1 56.92 4.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.25 161.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.344 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.88 -103.32 2.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.721 HD13 ' NE2' ' A' ' 23' ' ' HIS . 3.6 mm? -96.77 121.14 38.3 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 0.753 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.7 t -81.25 -160.43 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.97 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 m -122.17 -44.56 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 110.377 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.81 -14.03 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.721 ' NE2' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -108.9 -36.8 6.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.606 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.403 ' CE3' ' HB3' ' A' ' 27' ' ' PHE . 28.3 t-105 -70.14 -43.84 70.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.2 tp -53.27 -28.72 29.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.723 ' O ' HD21 ' A' ' 87' ' ' LEU . 55.4 t30 -70.23 -20.41 63.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.727 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -99.15 -33.64 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.4 tp -75.19 -32.19 61.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -61.79 -48.33 81.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . . . -60.75 -46.75 89.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -57.35 -37.3 72.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.57 -11.73 59.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.99 -11.23 33.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.955 HD21 HD11 ' A' ' 86' ' ' ILE . 47.1 mt -89.77 -46.84 8.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 54.13 72.95 0.99 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 66.61 6.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.67 -148.91 21.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.536 1.148 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -73.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -174.93 140.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -150.88 -82.56 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.1 t80 178.6 65.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -80.55 -0.75 39.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -81.29 -14.03 57.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -67.02 -53.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.83 -25.04 68.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.727 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -80.06 -56.92 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -54.37 -20.04 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -79.62 -38.89 32.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.763 ' CE2' HD11 ' A' ' 84' ' ' ILE . 12.5 t80 -78.58 -33.45 47.58 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 ' CD2' ' A' ' 27' ' ' PHE . 7.1 mt -69.83 -52.94 20.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.53 -28.62 46.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.725 HD21 HD23 ' A' ' 71' ' ' LEU . 1.3 tt -65.18 -51.34 61.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.655 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -62.33 -31.43 72.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -53.21 -31.37 42.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -8.81 49.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.108 HG22 ' CG2' ' A' ' 58' ' ' ILE . 3.3 m -122.12 83.26 44.9 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.16 3.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.798 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.108 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -117.23 -21.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.897 ' HB3' HD22 ' A' ' 67' ' ' LEU . 24.1 p-90 -96.8 -23.65 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -67.65 -54.47 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.67 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -47.43 -60.44 4.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.396 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.67 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.0 -8.77 20.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.609 1.847 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 63' ' ' ILE . 1.9 tp 36.68 87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -157.72 116.64 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.551 ' HE1' HG23 ' A' ' 84' ' ' ILE . 6.5 t80 -65.42 -15.99 63.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.475 ' CB ' ' OD1' ' A' ' 64' ' ' ASP . 0.3 OUTLIER -61.48 -23.48 65.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 110.024 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.01 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.1 tt -90.88 -19.25 23.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.5 mt -66.34 -60.21 2.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -21.88 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 68' ' ' LEU . 3.8 t -74.75 -43.68 53.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.725 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -55.82 -39.73 71.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.863 ' CD1' HG22 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -38.18 102.87 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 121.96 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.441 1.758 . . . . 0.0 110.969 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 73' ' ' PRO . 29.9 mtmm 31.64 47.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.527 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 57.65 121.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -79.67 -176.86 0.78 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.601 0.824 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.574 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 170.43 20.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.01 169.12 3.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.562 ' C ' HD12 ' A' ' 83' ' ' ILE . 0.0 OUTLIER 72.63 6.7 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 81' ' ' VAL . 24.6 t -132.7 -82.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.863 HG22 ' CD1' ' A' ' 72' ' ' ILE . 21.5 t -57.8 -39.87 73.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -54.34 -22.25 11.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.707 HG12 HD12 ' A' ' 34' ' ' LEU . 6.8 mt -92.16 -35.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.763 HD11 ' CE2' ' A' ' 49' ' ' PHE . 20.5 mt -74.33 -36.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -54.29 -31.2 53.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.955 HD11 HD21 ' A' ' 34' ' ' LEU . 13.8 mt -65.54 -34.89 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.734 ' O ' HG12 ' A' ' 92' ' ' VAL . 21.1 mt -73.64 -42.94 60.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.428 HG13 ' HD3' ' A' ' 94' ' ' PRO . 16.6 t -64.75 -51.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -14.22 39.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -78.78 -65.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER 165.48 61.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.734 HG12 ' O ' ' A' ' 87' ' ' LEU . 9.8 p -156.08 57.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.33 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.5 OUTLIER 168.85 -54.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.4 Cg_endo -75.0 79.55 2.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.788 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.5 p 56.1 165.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.49 ' HB3' ' HG3' ' A' ' 100' ' ' PRO . . . 40.49 64.45 4.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 96' ' ' ALA . 18.3 Cg_endo -75.0 59.94 5.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -170.74 49.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 42.18 90.55 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.49 ' HG3' ' HB3' ' A' ' 96' ' ' ALA . 18.4 Cg_endo -74.98 -178.52 4.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.83 154.99 93.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 116.63 4.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.2 m 50.95 87.18 0.14 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.436 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 87.85 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.546 1.813 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 60.2 mt -61.63 147.34 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.1 m -174.2 95.17 0.31 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.99 12.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.68 ' O ' HG23 ' A' ' 109' ' ' THR . 15.7 m 60.88 145.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 108' ' ' THR . 2.4 p -159.22 -44.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.8 p 39.0 66.54 2.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.387 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 157.7 42.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.57 3.82 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.46 31.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.412 1.743 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 168.07 25.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.53 3.82 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.465 ' C ' ' HD2' ' A' ' 119' ' ' PRO . 18.6 Cg_endo -74.99 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.591 1.837 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.02 -41.56 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.76 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.561 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.0 OUTLIER -37.61 -58.97 1.18 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.063 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.561 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.02 -67.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 70.37 148.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 122' ' ' HIS . . . -178.02 126.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.727 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.0 OUTLIER -39.75 -71.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 122' ' ' HIS . 0.9 OUTLIER 164.75 -52.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 123' ' ' VAL . 18.5 Cg_endo -74.95 155.52 43.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.4 Cg_endo -75.06 155.34 42.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.563 ' O ' ' CG ' ' A' ' 127' ' ' TYR . 18.4 Cg_endo -75.01 64.31 6.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 126' ' ' PRO . 53.3 p90 40.37 -163.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.408 HG12 ' C ' ' A' ' 127' ' ' TYR . 1.4 p 175.34 -35.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 0.0 OUTLIER -38.84 -55.82 2.62 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.89 81.2 2.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 16.3 p -72.85 151.96 41.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.454 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.5 p -40.53 -41.93 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 68.0 p -51.31 170.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 66.71 98.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 m -148.17 -62.59 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 108.305 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 20.7 p90 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.2 m170 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.77 145.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.01 109.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -47.12 159.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.403 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -134.68 51.33 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.04 174.87 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.18 -83.95 0.1 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.75 -69.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.488 ' O ' ' HD2' ' A' ' 11' ' ' PRO . 7.0 p -166.65 63.36 0.75 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 110.046 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 8' ' ' SER . 18.3 Cg_endo -74.98 64.54 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.636 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -168.87 -63.37 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 0.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.636 ' HD3' ' CB ' ' A' ' 10' ' ' THR . 18.2 Cg_endo -74.98 -38.76 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 tt -164.2 89.4 1.1 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HB3' ' HA ' ' A' ' 9' ' ' PRO . 18.5 Cg_endo -75.04 103.4 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt 67.3 175.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -144.33 162.65 38.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 81.71 2.14 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.567 1.825 . . . . 0.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.6 158.96 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.619 ' C ' HD13 ' A' ' 63' ' ' ILE . . . -56.88 -61.15 7.83 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.4 1.062 . . . . 0.0 111.084 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.639 ' HB3' HD11 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -86.65 113.07 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.247 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -101.24 -170.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.06 . . . . 0.0 110.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -38.88 87.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 110.439 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -61.61 -43.74 98.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.522 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -60.48 -41.39 94.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.902 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 33.5 t-105 -73.56 -43.09 60.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.977 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.69 -28.26 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.751 ' O ' HD21 ' A' ' 87' ' ' LEU . 57.5 t30 -71.6 -21.69 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.058 ' CE1' HD21 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -99.67 -35.38 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 28' ' ' LEU . 14.2 tp -68.4 -26.85 65.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -54.23 22.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.608 ' HB1' ' HB ' ' A' ' 86' ' ' ILE . . . -57.2 -39.43 75.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.533 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -67.71 -24.69 65.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -13.21 51.57 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.384 1.052 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -93.04 -9.98 37.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.714 HD21 HD11 ' A' ' 86' ' ' ILE . 16.7 mt -93.4 -64.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -142.23 97.79 6.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 96.78 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.772 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.59 99.88 0.13 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 117.43 4.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 110.998 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -166.12 50.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.918 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 47.68 -173.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 45.7 t80 59.36 18.6 6.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.83 -47.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -79.76 -13.77 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -55.22 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -16.75 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.38 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.058 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -86.48 -55.91 3.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -19.12 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.25 -25.91 55.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 84' ' ' ILE . 42.4 t80 -95.08 -36.95 11.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.902 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 11.7 mt -71.35 -58.62 3.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -25.11 25.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.6 tt -70.15 -55.58 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.53 -32.37 62.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.4 tp -62.78 -13.48 33.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -73.92 -4.05 32.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 56' ' ' THR . 13.0 t -150.88 96.6 3.31 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 110.377 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 68.66 5.67 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.906 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.44 -22.99 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HB3' HD22 ' A' ' 67' ' ' LEU . 9.2 p-90 -94.26 -24.4 17.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.639 HD11 ' HB3' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -67.86 -55.53 12.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.679 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -44.67 -60.73 2.71 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.679 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -75.01 -12.24 21.48 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.619 HD13 ' C ' ' A' ' 18' ' ' GLY . 3.0 tp 38.15 89.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -158.44 117.93 3.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.758 ' HE2' HG23 ' A' ' 84' ' ' ILE . 11.3 t80 -64.81 -8.84 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 p -67.75 -28.88 68.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.99 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.1 tt -85.53 -18.97 31.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.539 ' HA ' HD23 ' A' ' 68' ' ' LEU . 5.1 mt -70.36 -62.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.53 -19.37 5.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 t -72.07 -36.9 69.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.936 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.73 -43.24 90.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.04 HD11 HD12 ' A' ' 84' ' ' ILE . 16.0 mt -56.71 115.59 10.65 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.1 48.44 2.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.1 mttm 28.16 89.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.22 -2.18 5.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.798 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -39.17 155.21 0.15 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.99 -168.56 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 49.24 -173.18 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.52 21.67 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -59.06 -43.6 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG22 HD13 ' A' ' 72' ' ' ILE . 4.6 t -69.53 -40.26 79.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.44 -25.89 38.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.608 HG12 HD12 ' A' ' 34' ' ' LEU . 7.9 mt -85.03 -55.43 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.04 HD12 HD11 ' A' ' 72' ' ' ILE . 16.2 mt -58.75 -29.56 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.5 -34.77 73.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.714 HD11 HD21 ' A' ' 34' ' ' LEU . 18.0 mt -63.74 -29.56 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.751 HD21 ' O ' ' A' ' 26' ' ' ASN . 20.8 mt -76.96 -46.0 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.83 -49.86 80.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -19.57 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -90.95 18.43 6.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.387 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.754 ' O ' HG22 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -146.11 -66.83 0.29 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 91' ' ' GLN . 5.2 m 51.14 24.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.1 p -178.52 156.26 0.96 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.971 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.25 27.64 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.567 1.824 . . . . 0.0 111.06 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -110.3 61.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.071 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -155.84 76.98 4.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -57.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.406 1.74 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -120.09 -76.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.858 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . 167.81 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -75.01 55.88 4.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 100' ' ' PRO . 2.8 p -39.46 99.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 100' ' ' PRO . 18.2 Cg_endo -75.08 59.14 5.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.771 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.507 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.8 OUTLIER -46.89 -51.33 39.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.1 Cg_endo -75.05 169.71 22.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -175.96 126.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -144.94 150.67 46.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 108.309 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -179.23 4.78 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.451 1.764 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 22.6 m -81.89 70.41 8.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.843 HG22 HG23 ' A' ' 110' ' ' THR . 54.6 m -66.03 157.49 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 110.326 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.843 HG23 HG22 ' A' ' 109' ' ' THR . 67.8 p 39.19 88.07 0.1 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.808 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.13 29.87 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.573 1.828 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.47 3.8 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.781 . . . . 0.0 111.046 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 18.3 Cg_endo -74.94 155.02 43.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.558 1.82 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 115' ' ' PRO . 18.5 Cg_endo -74.93 156.02 43.3 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 77.96 3.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.1 m -82.17 153.97 69.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 60.36 5.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.532 1.806 . . . . 0.0 111.053 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 61.36 126.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 66.06 121.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.246 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.24 -55.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.428 1.08 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 123' ' ' VAL . 2.4 p -171.21 77.35 0.53 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.8 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.48 3.81 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.51 1.795 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 138.11 22.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.43 1.753 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -67.23 173.19 4.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 110' ' ' THR . 28.2 m -108.82 133.06 55.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 130' ' ' PRO . 0.0 OUTLIER 170.72 -55.42 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.95 172.35 16.51 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.798 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 17.9 m -108.71 -55.22 2.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.375 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 133' ' ' THR . 75.9 m -133.07 -53.32 0.91 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 133' ' ' THR . 1.3 t 38.84 35.84 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.405 ' CD ' ' C ' ' A' ' 133' ' ' THR . 4.3 pm0 38.9 48.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 10.5 t -158.07 -62.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 108.319 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 0' ' ' HIS . 3.0 tpp 76.06 -55.08 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.68 72.01 0.39 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.92 170.94 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.58 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -136.43 -175.4 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.451 ' CG ' HG12 ' A' ' 4' ' ' ILE . 32.7 m80 69.65 -67.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.56 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 4' ' ' ILE . . . 104.14 -111.26 3.8 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 7' ' ' LEU . 1.5 tt -129.8 64.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.16 116.43 65.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -38.75 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 13' ' ' PRO . 46.6 p -63.38 157.69 62.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.168 . . . . 0.0 110.455 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.582 ' O ' HD12 ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.01 -7.53 19.25 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 111.068 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER 164.21 -52.59 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 12' ' ' ILE . 18.1 Cg_endo -75.12 -174.9 2.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 151.73 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.27 76.18 2.79 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -173.24 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.421 1.748 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.39 179.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.33 51.32 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.538 ' CD1' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -148.86 108.76 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 0.711 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 22' ' ' HIS . 2.6 p -160.73 -80.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -149.2 22.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 20' ' ' SER . 5.2 p-80 -109.01 -27.81 9.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.614 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.538 ' CE1' ' N ' ' A' ' 65' ' ' TYR . 0.6 OUTLIER -109.99 -33.0 6.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.56 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.918 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 63.4 t-105 -73.41 -43.11 61.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 108.037 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 25' ' ' LEU . 7.8 tp -53.21 -25.31 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.487 ' O ' HD21 ' A' ' 87' ' ' LEU . 47.4 t30 -73.9 -26.97 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.697 ' CE1' HD11 ' A' ' 46' ' ' LEU . 3.1 t80 -92.52 -38.22 12.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -64.72 -15.08 60.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.372 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -83.4 -56.83 3.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.5 -39.38 76.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -63.13 -31.09 72.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.73 -13.38 59.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -92.08 -12.83 31.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.25 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.092 HD21 HD11 ' A' ' 86' ' ' ILE . 14.4 mt -101.51 -161.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 35' ' ' GLN . 12.1 pt20 -40.74 100.63 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 114.53 4.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.83 170.51 17.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.3 Cg_endo -75.03 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.577 1.83 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 94.3 p 50.67 -93.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' ' OG ' ' A' ' 39' ' ' SER . 5.2 p-10 -129.32 132.99 47.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.28 30.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 175.72 44.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 40' ' ' ASP . 15.1 m-85 -114.78 -27.68 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 2.5 pp0? -62.5 -49.93 73.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -72.62 -8.48 55.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.755 ' HG ' HG22 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -95.61 -39.17 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.864 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -70.62 -25.43 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -31.6 72.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CE1' HG12 ' A' ' 72' ' ' ILE . 11.5 t80 -76.87 -30.76 56.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.918 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 8.5 mt -71.6 -49.62 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.401 1.063 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -56.26 -27.45 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.731 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -67.03 -54.04 25.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.744 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.95 -30.39 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.2 tp -62.1 -13.42 26.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -73.23 -4.77 35.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 56' ' ' THR . 14.3 t -149.3 95.84 3.76 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 67.59 5.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.87 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.42 -22.63 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.748 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.2 p-90 -94.48 -21.6 18.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.538 HD11 ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -71.24 -51.13 26.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.644 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.9 OUTLIER -47.56 -59.36 5.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.03 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 35.1 88.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.73 112.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.675 ' OH ' ' CE2' ' A' ' 27' ' ' PHE . 1.2 t80 -63.47 -10.69 18.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -59.15 -18.5 36.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.005 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -93.31 -18.68 22.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.744 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.6 mt -68.2 -60.76 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.78 -22.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 t -73.51 -34.8 65.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -62.04 -51.73 66.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.606 1.191 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.836 HD13 HG22 ' A' ' 81' ' ' VAL . 4.9 mt -39.55 99.62 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.94 85.6 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 75' ' ' GLY . 0.0 OUTLIER 77.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.375 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' LYS . . . -37.03 120.02 0.65 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.57 ' CD2' ' HD2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -92.98 177.25 2.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.437 0.728 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.87 -175.44 2.34 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 45.52 -171.89 0.02 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -101.81 21.18 14.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.38 0.694 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.755 HG22 ' HG ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -58.7 -43.89 88.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.836 HG22 HD13 ' A' ' 72' ' ' ILE . 12.2 t -70.09 -38.49 75.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' HA ' ' ND2' ' A' ' 85' ' ' ASN . 14.6 mm-40 -58.77 -25.01 62.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.917 HG12 HD12 ' A' ' 34' ' ' LEU . 5.8 mt -86.9 13.75 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 27' ' ' PHE . 1.2 mt -120.1 -48.78 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.521 ' C ' ' OD1' ' A' ' 85' ' ' ASN . 6.0 p30 -53.82 -20.57 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.092 HD11 HD21 ' A' ' 34' ' ' LEU . 84.6 mt -76.08 -34.02 25.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.487 HD21 ' O ' ' A' ' 26' ' ' ASN . 18.9 mt -73.06 -43.64 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.427 ' O ' ' CG ' ' A' ' 91' ' ' GLN . 8.7 t -62.86 -49.5 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.352 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.688 ' HA ' HG22 ' A' ' 92' ' ' VAL . 3.6 ttpt -60.33 -15.39 25.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -77.27 -54.01 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.631 ' HG3' HG13 ' A' ' 92' ' ' VAL . 5.9 pt20 -57.78 -31.99 67.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.382 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 89' ' ' LYS . 4.0 m -89.4 -35.3 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 89' ' ' LYS . 33.1 t 42.96 93.25 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.3 t -137.25 -61.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.06 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -156.58 160.19 30.89 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.09 40.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.631 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -47.15 127.28 10.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.837 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . 168.02 -54.59 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.837 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -75.0 123.43 7.88 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.39 1.732 . . . . 0.0 111.032 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.519 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 0.9 OUTLIER -75.03 -51.52 3.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.2 Cg_endo -74.99 123.91 8.24 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.36 -53.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 103' ' ' THR . 18.4 Cg_endo -74.98 -164.93 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 104' ' ' PRO . 1.1 pt 40.23 -99.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -70.76 118.39 64.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 108.338 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 80.41 2.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.0 m 39.47 64.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 111' ' ' PRO . 1.3 t -63.24 -35.07 79.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' THR . 13.3 m -36.86 97.7 0.14 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 109' ' ' THR . 18.3 Cg_endo -75.07 172.99 15.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 155.53 43.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.407 ' HG3' ' HA ' ' A' ' 126' ' ' PRO . 18.3 Cg_endo -75.02 113.58 3.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 113.43 3.79 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.58 3.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.435 ' C ' ' OG ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.07 -70.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.511 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.0 OUTLIER 175.85 -56.78 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.5 Cg_endo -74.91 -33.75 4.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 119' ' ' PRO . 1.6 tt0 81.68 -63.39 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 63.1 -99.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.349 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 3.8 p-80 -70.02 107.43 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 123' ' ' VAL . 9.3 p -39.39 99.76 0.2 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.415 ' CG ' ' HG2' ' A' ' 120' ' ' GLU . 18.5 Cg_endo -74.9 113.53 3.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.506 1.792 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 113.58 3.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 128' ' ' VAL . 18.1 Cg_endo -75.09 168.7 24.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.411 ' CB ' ' O ' ' A' ' 126' ' ' PRO . 0.3 OUTLIER 67.82 -65.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 126' ' ' PRO . 77.5 t -56.05 -80.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 175.05 154.26 0.32 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.656 ' O ' HG23 ' A' ' 132' ' ' THR . 18.3 Cg_endo -74.95 165.61 30.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.822 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.4 p 38.72 -101.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 130' ' ' PRO . 24.0 p 38.83 56.67 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 68.0 p 38.86 85.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -39.1 129.91 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.612 ' O ' ' CD2' ' A' ' 136' ' ' PHE . 0.1 OUTLIER -118.75 64.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.242 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 136' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.56 103.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 5' ' ' HIS . . . -102.41 94.29 1.16 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -39.34 -44.47 1.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 0.787 . . . . 0.0 110.238 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 tt -41.78 -46.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER -47.63 172.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.599 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.0 -81.66 0.24 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -41.7 -64.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.45 ' CB ' ' HG2' ' A' ' 11' ' ' PRO . 0.6 OUTLIER 61.42 71.31 0.79 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -67.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.493 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -42.82 -51.28 12.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.391 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 144.91 30.66 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.466 1.772 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.4 pt -131.01 72.02 82.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -58.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.17 169.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 62.11 91.6 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -89.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -176.29 52.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.783 ' O ' HD11 ' A' ' 60' ' ' LEU . . . 64.34 10.55 42.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tp -152.93 97.55 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 0.792 . . . . 0.0 109.223 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.419 ' HB3' ' ND1' ' A' ' 23' ' ' HIS . 1.1 t -65.39 151.71 45.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -66.84 -61.54 1.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.417 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.445 ' ND1' HD11 ' A' ' 63' ' ' ILE . 38.7 m170 -62.98 -46.31 88.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.925 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 48.4 t-105 -69.58 -43.15 73.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 108.087 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 6.6 tp -51.98 -33.73 39.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.575 ' OD1' HD22 ' A' ' 87' ' ' LEU . 38.8 t30 -64.06 -26.37 68.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.679 ' CE2' HD21 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -91.65 -32.94 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.689 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 15.2 tp -78.45 -20.61 50.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -71.85 -59.15 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB3' HG22 ' A' ' 83' ' ' ILE . . . -55.35 -34.53 64.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.319 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -71.91 -16.56 62.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.84 -16.21 21.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -19.99 22.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' A' ' 86' ' ' ILE . 23.9 mt -62.28 -63.3 1.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER 172.2 92.6 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 55.21 3.87 Favored 'Trans proline' 0 C--N 1.358 1.06 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.73 -161.17 10.9 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 1.39 7.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 t -90.35 30.48 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.05 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 41' ' ' PHE . 0.1 OUTLIER 167.08 145.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER 172.75 67.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.928 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -121.53 -83.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.689 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 74.69 -9.24 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.9 pt20 -80.22 -53.7 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 3.6 mm-40 -65.16 -10.67 33.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -89.28 -41.07 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' A' ' 50' ' ' LEU . 7.2 tmm_? -66.93 -26.48 66.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 110.298 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -44.78 83.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.352 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.581 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 34.3 t80 -59.39 -34.49 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.925 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 14.8 mt -72.04 -55.68 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -56.58 -27.45 57.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 3.4 tt -67.26 -55.08 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.626 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.27 -28.22 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.1 tp -64.07 -12.32 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -2.39 28.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 56' ' ' THR . 13.2 t -151.44 96.61 3.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.448 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 68.16 5.74 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.892 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.24 -22.99 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.846 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.2 p-90 -95.2 -24.04 16.99 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.783 HD11 ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -68.88 -54.36 16.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.652 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -45.49 -60.05 3.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.1 Cg_endo -75.02 -10.71 21.29 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.394 1.733 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 63' ' ' ILE . 3.4 tp 38.24 90.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.5 114.55 1.4 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -63.87 -9.59 15.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.7 m -65.84 -23.02 66.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.018 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -89.13 -17.22 29.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.5 mt -67.77 -61.49 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.3 -21.93 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -69.3 -40.3 77.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.92 -40.46 80.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.783 HG23 ' HB2' ' A' ' 76' ' ' TYR . 8.5 mt -51.73 116.02 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 47.47 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER 29.54 88.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . 129.14 -1.24 6.17 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.783 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -36.37 153.58 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.05 -167.9 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.45 -172.88 0.19 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.86 20.48 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.519 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.2 t -60.05 -46.84 93.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG22 HD13 ' A' ' 72' ' ' ILE . 4.2 t -67.91 -39.27 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -55.71 -26.43 45.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 31' ' ' ALA . 4.5 mt -89.2 -51.75 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.758 HD12 HD11 ' A' ' 72' ' ' ILE . 5.5 mt -62.03 -24.89 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -64.29 -33.37 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.855 HD11 ' CD2' ' A' ' 34' ' ' LEU . 6.6 mt -62.58 -35.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.575 HD22 ' OD1' ' A' ' 26' ' ' ASN . 44.1 mt -67.58 -42.79 81.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.3 t -65.44 -50.5 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.527 ' O ' HG12 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -66.66 -18.51 65.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -80.51 -55.62 4.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.492 ' C ' HG13 ' A' ' 92' ' ' VAL . 4.6 pt20 -67.56 -53.11 31.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER 54.29 19.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.3 m -39.57 150.19 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.087 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 150.39 38.01 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.65 ' O ' ' HB2' ' A' ' 96' ' ' ALA . 90.5 p -117.3 133.97 55.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . 166.13 -53.69 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.102 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 18.4 Cg_endo -74.98 67.8 5.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.618 ' O ' ' HB2' ' A' ' 99' ' ' ALA . . . -81.37 157.9 24.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.843 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . 168.27 -54.61 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.379 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.2 Cg_endo -75.09 -86.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 101' ' ' VAL . 14.6 p -173.88 64.49 0.29 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 103' ' ' THR . 18.1 Cg_endo -74.98 -28.07 9.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER 167.32 -53.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 103' ' ' THR . 17.9 Cg_endo -75.11 99.77 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.428 1.752 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.7 mm -41.87 126.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.22 149.65 0.53 Allowed Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.481 1.113 . . . . 0.0 108.33 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.483 ' O ' HG22 ' A' ' 109' ' ' THR . 18.1 Cg_endo -75.01 -61.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.489 1.783 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 109' ' ' THR . 0.1 OUTLIER -43.35 -85.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.437 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.652 ' H ' HG23 ' A' ' 108' ' ' THR . 0.9 OUTLIER 37.9 81.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.41 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.773 HG22 ' HD2' ' A' ' 111' ' ' PRO . 1.8 m 61.63 147.04 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.773 ' HD2' HG22 ' A' ' 110' ' ' THR . 18.2 Cg_endo -75.06 171.68 17.85 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.578 1.831 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 170.0 21.37 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.382 1.728 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.5 3.8 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.25 42.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.456 1.766 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 18.3 Cg_endo -74.97 155.0 43.05 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.802 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 116' ' ' PRO . 18.5 Cg_endo -74.88 -179.21 4.73 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.458 ' CB ' ' HD3' ' A' ' 119' ' ' PRO . 0.5 OUTLIER 167.13 -54.29 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 118' ' ' SER . 18.6 Cg_endo -74.87 -46.43 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.42 1.747 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 6.8 pt-20 42.22 -164.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 120' ' ' GLU . . . 74.29 -82.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.85 49.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 80.0 t 40.97 72.89 0.96 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 18.3 Cg_endo -75.04 155.87 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.792 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.2 Cg_endo -74.98 160.73 39.88 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.792 . . . . 0.0 111.048 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.9 36.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.579 1.831 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -116.76 68.89 0.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 128' ' ' VAL . 8.0 p -132.15 56.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -179.37 151.73 0.64 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 -52.33 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.779 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 25.7 p -143.1 -56.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 132' ' ' THR . 11.1 t -41.05 118.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.2 t -102.26 -28.73 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.442 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.27 159.12 30.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 136' ' ' PHE . 10.5 m -151.74 143.49 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 108.272 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.468 ' CG ' ' O ' ' A' ' 135' ' ' CYS . 22.2 p90 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.429 ' CE1' ' HA3' ' A' ' 2' ' ' GLY . 4.3 t-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.29 61.05 2.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 0' ' ' HIS . . . -87.35 172.63 43.39 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -144.54 170.56 15.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 0.79 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.9 tp -173.9 145.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 m80 52.72 176.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.608 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 84.2 167.18 42.06 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -169.21 -64.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.3 m -137.26 93.47 12.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 58.94 5.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 m 60.73 86.16 0.16 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.376 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.413 1.744 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -48.03 147.67 3.44 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.5 Cg_endo -74.91 -179.34 4.87 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -173.54 61.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.43 99.89 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -58.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.511 1.795 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 64.5 87.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 110.35 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.34 -65.57 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -77.9 74.55 4.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.9 m -147.49 -80.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 21' ' ' THR . 54.4 m -131.66 16.95 4.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.46 -65.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CE1' HG13 ' A' ' 63' ' ' ILE . 64.9 m80 -82.77 -23.03 34.11 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.711 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 49.1 t-105 -71.74 -43.25 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 25' ' ' LEU . 7.5 tp -52.12 -30.66 27.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.799 ' OD1' HD13 ' A' ' 87' ' ' LEU . 16.3 t-20 -68.28 -25.6 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -91.55 -34.13 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 111.052 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.877 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 17.0 tp -77.13 -14.88 59.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' TYR . 2.5 mt-30 -80.83 -63.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.47 -27.67 17.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -77.7 -26.64 50.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -85.39 -6.95 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -99.67 -10.38 22.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.993 HD21 HD11 ' A' ' 86' ' ' ILE . 87.6 mt -88.12 -108.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.49 155.1 44.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' PRO . 18.3 Cg_endo -75.06 139.89 24.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -36.5 97.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.08 67.83 5.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.491 1.785 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 18.8 m 56.82 67.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 2.0 m-20 155.24 -24.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.362 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER 75.04 -0.21 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 41' ' ' PHE . 0.9 OUTLIER 53.25 22.37 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.877 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 9.6 m-30 -83.77 -13.03 54.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -56.59 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -58.44 -17.97 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.02 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -85.93 -58.34 2.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -53.01 -20.16 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.29 -31.37 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.63 ' CE1' ' CG1' ' A' ' 72' ' ' ILE . 18.3 t80 -80.8 -33.91 34.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 111.021 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.711 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 6.6 mt -70.36 -49.49 48.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.08 36.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.571 ' C ' HD23 ' A' ' 52' ' ' LEU . 5.1 tt -71.58 -59.2 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.78 -28.91 58.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -63.74 -12.8 37.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -73.45 -4.06 31.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 56' ' ' THR . 14.8 t -150.9 95.12 3.46 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.44 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 67.05 5.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.871 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.86 -21.64 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 109.221 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.858 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.8 p-90 -94.91 -23.08 17.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -68.06 -55.87 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.669 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.2 m-20 -45.17 -60.42 3.23 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.669 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.05 -11.3 21.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 63' ' ' ILE . 1.5 tp 37.95 87.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -151.96 121.73 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.658 ' CE2' ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -69.87 -2.22 11.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 111.019 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.5 p -76.19 -40.12 53.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.0 tt -74.39 -21.87 59.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 68' ' ' LEU . 5.0 mt -69.99 -62.0 1.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.78 -20.79 3.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.1 t -74.97 -30.18 61.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.545 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.25 -55.33 22.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.902 HD13 HG22 ' A' ' 81' ' ' VAL . 80.7 mt -41.52 100.74 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -75.06 50.7 2.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' PRO . 9.7 ttpt 34.82 44.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.35 3.23 5.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.46 ' OH ' HD13 ' A' ' 52' ' ' LEU . 4.5 m-85 -100.22 122.95 48.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 78' ' ' GLY . 18.3 Cg_endo -75.1 -179.76 5.32 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.43 1.753 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.31 173.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.62 ' C ' HD12 ' A' ' 83' ' ' ILE . 7.2 mmp_? 81.57 -7.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.264 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 81' ' ' VAL . 25.3 t -135.03 -80.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.902 HG22 HD13 ' A' ' 72' ' ' ILE . 4.5 t -61.19 -38.23 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 3.6 mm-40 -57.71 -15.48 8.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.816 HG12 HD12 ' A' ' 34' ' ' LEU . 5.7 mt -100.05 -37.97 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.692 HD12 HD11 ' A' ' 72' ' ' ILE . 54.2 mt -75.48 -40.32 41.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 27.4 p-10 -52.72 -26.22 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.993 HD11 HD21 ' A' ' 34' ' ' LEU . 19.0 mt -70.9 -35.39 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.799 HD13 ' OD1' ' A' ' 26' ' ' ASN . 19.7 mt -70.99 -42.96 68.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.44 -50.53 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 93' ' ' SER . 4.0 tttt -65.38 -16.79 63.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 7.3 t30 -55.64 -30.8 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -116.59 -42.2 3.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.6 t -59.63 -16.52 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.9 t -62.44 150.16 86.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 138.39 22.79 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.0 t 46.68 95.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.02 159.26 59.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.67 4.64 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.63 62.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.98 77.94 0.25 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 152.48 40.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.438 1.757 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.67 HG11 ' HB3' ' A' ' 104' ' ' PRO . 2.4 t 63.61 136.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 75.08 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.4 m 66.02 86.81 0.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.67 ' HB3' HG11 ' A' ' 101' ' ' VAL . 18.3 Cg_endo -75.03 0.15 9.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.0 mm -44.79 -85.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -52.0 -54.1 44.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 108.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 106' ' ' CYS . 18.3 Cg_endo -74.96 89.06 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.456 1.766 . . . . 0.0 111.042 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.9 m -91.8 61.87 4.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 68.0 p -60.93 179.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.434 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 110' ' ' THR . 7.5 t -172.02 70.94 0.46 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.452 1.764 . . . . 0.0 111.023 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.48 3.8 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 113.47 3.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.809 . . . . 0.0 111.02 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 113.47 3.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 111.045 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.56 3.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.63 32.99 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -41.24 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.43 1.753 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.52 160.69 0.13 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.947 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -52.87 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.87 31.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -40.47 -58.46 1.56 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.463 1.102 . . . . 0.0 109.387 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.907 ' O ' HG22 ' A' ' 123' ' ' VAL . 4.4 p80 -113.09 57.84 0.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.594 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 122' ' ' HIS . 3.0 m 55.69 159.83 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 113.49 3.81 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.524 1.802 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.44 3.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 143.23 29.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.524 1.802 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.916 ' CE2' HG12 ' A' ' 128' ' ' VAL . 6.2 p90 -165.54 -42.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.916 HG12 ' CE2' ' A' ' 127' ' ' TYR . 0.7 OUTLIER -173.94 -165.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.615 ' N ' HG13 ' A' ' 128' ' ' VAL . 0.0 OUTLIER 170.1 -55.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.461 ' HD3' ' CB ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.93 -89.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 131' ' ' THR . 8.8 t -86.43 110.41 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.0 t -100.56 -27.21 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.448 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.2 p -69.66 95.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -163.6 61.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 136' ' ' PHE . 25.6 p -56.02 -27.96 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 108.275 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 135' ' ' CYS . 2.2 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 1' ' ' MET . 56.0 m80 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 11.9 ptp 43.46 -166.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.87 117.92 2.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.81 ' C ' HD13 ' A' ' 4' ' ' ILE . 2.8 tt0 -74.92 59.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.81 HD13 ' C ' ' A' ' 3' ' ' GLN . 0.2 OUTLIER 40.5 -158.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -85.97 -64.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.569 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.06 -111.43 2.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 tp 71.6 161.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.37 153.55 0.58 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.024 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.69 8.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.445 1.76 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 11' ' ' PRO . 2.5 m -66.29 146.56 99.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 10' ' ' THR . 18.1 Cg_endo -75.01 -88.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.67 ' O ' HD12 ' A' ' 12' ' ' ILE . 1.4 pp 31.22 86.92 0.12 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 162.57 36.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.596 1.84 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -142.16 56.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.258 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.802 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . 167.47 -54.36 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.802 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 146.46 32.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 113.43 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 110.348 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.92 133.33 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.844 HD22 HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -44.93 167.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 109.26 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 1.3 p -148.61 152.22 36.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.389 1.056 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.64 -45.22 73.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -41.47 94.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 15.0 m170 -60.83 -44.76 96.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 1.018 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 43.9 t-105 -71.55 -42.78 67.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' GLN . 7.5 tp -53.86 -31.08 48.38 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.703 ' O ' HD21 ' A' ' 87' ' ' LEU . 10.0 t-20 -67.58 -13.78 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.924 ' CE1' HD11 ' A' ' 46' ' ' LEU . 1.3 t80 -108.84 -34.3 6.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.463 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 14.4 tp -72.08 -23.08 61.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.21 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 25' ' ' LEU . 2.0 mt-30 -70.69 -59.06 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.381 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 83' ' ' ILE . . . -54.84 -35.24 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.633 ' N ' HG23 ' A' ' 83' ' ' ILE . . . -70.1 -25.71 63.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.69 -17.11 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -91.09 -11.91 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.709 ' CD2' HD11 ' A' ' 86' ' ' ILE . 30.9 mt -81.08 -108.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 179.58 145.45 0.38 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -171.51 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.423 1.749 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.22 -89.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 161.81 38.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.6 p -72.7 80.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' C ' ' CG ' ' A' ' 41' ' ' PHE . 23.1 t70 178.84 -37.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CG ' ' C ' ' A' ' 40' ' ' ASP . 3.4 m-85 74.84 11.3 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 67.24 50.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CZ ' HD11 ' A' ' 28' ' ' LEU . 3.8 m-30 -107.44 -39.2 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -53.34 29.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.43 ' O ' ' NE ' ' A' ' 48' ' ' ARG . 10.0 pt20 -68.5 -6.99 28.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.924 HD11 ' CE1' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -94.7 -40.21 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.239 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.626 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -63.27 -20.59 65.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 45' ' ' GLN . 24.3 ptt180 -71.91 -36.86 70.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.579 ' CZ ' HG12 ' A' ' 72' ' ' ILE . 40.4 t80 -67.6 -34.91 77.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.018 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 7.6 mt -71.11 -51.69 23.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -54.3 -26.02 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 71' ' ' LEU . 3.7 tt -69.41 -56.45 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -58.05 -32.79 68.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 19' ' ' LEU . 1.2 tp -62.59 -13.51 32.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -73.03 -4.41 32.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 56' ' ' THR . 12.3 t -151.46 96.5 3.2 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 68.93 5.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.878 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.26 -21.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.826 ' HB3' HD22 ' A' ' 67' ' ' LEU . 10.8 p-90 -94.72 -23.7 17.45 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.59 1.181 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.844 HD11 HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -67.52 -55.37 13.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.675 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -45.62 -60.65 3.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.5 Cg_endo -75.0 -10.97 21.45 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.55 1.816 . . . . 0.0 111.055 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.546 ' CD1' ' CE1' ' A' ' 23' ' ' HIS . 2.6 tp 37.78 88.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -157.44 118.06 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.633 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 2.6 t80 -65.12 -8.99 19.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.2 p -66.76 -34.19 77.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.991 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -78.99 -18.41 53.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 68' ' ' LEU . 4.8 mt -69.14 -61.98 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.01 -20.71 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -74.01 -40.7 62.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.32 -42.48 86.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.382 1.051 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.735 HD11 HD12 ' A' ' 84' ' ' ILE . 17.3 mt -42.67 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -75.03 114.27 3.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.2 tttt 37.21 50.34 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.439 ' HA2' ' CG2' ' A' ' 72' ' ' ILE . . . 59.31 123.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.427 1.079 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.546 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -84.11 173.16 7.7 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 0.739 . . . . 0.0 110.972 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.546 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.02 -169.18 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' HA3' ' NE2' ' A' ' 45' ' ' GLN . . . 48.07 -171.58 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -93.09 19.6 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -56.67 -41.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.633 HG22 HD13 ' A' ' 72' ' ' ILE . 47.8 t -73.08 -39.94 57.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -27.72 60.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 31' ' ' ALA . 7.5 mt -83.55 -12.03 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.735 HD12 HD11 ' A' ' 72' ' ' ILE . 70.1 mt -102.82 -35.85 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.33 -25.02 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.709 HD11 ' CD2' ' A' ' 34' ' ' LEU . 15.9 mt -72.57 -35.74 51.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 26' ' ' ASN . 27.6 mt -65.09 -42.7 93.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 6.1 t -69.14 -49.23 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -2.22 32.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.196 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 91' ' ' GLN . 5.6 p-10 -55.33 -19.57 9.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 92' ' ' VAL . 12.9 tp60 85.22 66.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 91' ' ' GLN . 37.2 t -155.2 -46.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.484 ' N ' ' CD ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -39.48 -52.91 4.44 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 93' ' ' SER . 18.3 Cg_endo -75.01 173.31 14.74 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.4 p -172.63 169.78 4.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -172.02 84.02 0.46 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 56.34 4.21 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.54 1.811 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 99' ' ' ALA . . . 56.13 169.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 98' ' ' ALA . . . -39.55 100.0 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ALA . 18.1 Cg_endo -75.05 -55.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.47 ' O ' ' HD2' ' A' ' 104' ' ' PRO . 22.5 m 40.28 63.68 5.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.543 ' HA ' ' CG2' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.08 -9.78 20.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.577 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 0.8 OUTLIER -71.37 -60.34 2.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.438 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' A' ' 103' ' ' THR . 18.3 Cg_endo -75.02 -56.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.585 1.834 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CG2' ' HA ' ' A' ' 102' ' ' PRO . 7.5 pt 51.48 34.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -72.09 -54.06 6.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 106' ' ' CYS . 18.4 Cg_endo -75.02 178.99 6.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 110' ' ' THR . 43.3 p -41.07 -54.05 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.9 m 63.75 -78.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 108' ' ' THR . 41.0 p -51.95 159.5 1.39 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 113.5 3.81 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.53 1.806 . . . . 0.0 111.039 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 113.46 3.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.53 3.81 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 173.49 14.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.396 1.735 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 113.56 3.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.541 1.811 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.58 29.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.75 150.14 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.92 23.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.45 71.18 10.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -155.47 115.01 3.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 59.68 58.07 2.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.672 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 123' ' ' VAL . 66.7 t -127.31 72.83 77.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 113.56 3.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.458 ' O ' ' CD1' ' A' ' 127' ' ' TYR . 18.2 Cg_endo -75.01 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 126' ' ' PRO . 29.2 m-85 -145.53 -59.39 0.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 t -142.6 121.16 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 1.5 tp10 -73.24 -52.01 5.57 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.4 Cg_endo -74.95 132.72 15.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.9 p -65.23 -45.48 84.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 134' ' ' GLN . 80.4 p -39.59 -59.27 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 28.6 m 63.93 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 132' ' ' THR . 0.1 OUTLIER -103.85 -54.08 2.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 13.9 p 41.92 38.87 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 108.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 136' ' ' PHE . 6.6 p90 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 13.9 m80 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mmt 61.96 124.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.33 136.11 10.99 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.427 ' HA ' ' NE2' ' A' ' 3' ' ' GLN . 17.0 mm-40 -144.34 -67.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 4' ' ' ILE . 15.4 mm -147.59 -53.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -40.24 111.32 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.578 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 39.64 -147.56 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.3 mt -151.47 -88.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 109.273 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.488 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -77.4 -52.37 1.78 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.966 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.3 Cg_endo -74.99 61.79 5.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -38.71 150.51 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 10' ' ' THR . 18.1 Cg_endo -75.03 113.17 3.73 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -40.85 147.69 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.02 177.74 8.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.437 1.756 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.33 85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.41 154.53 73.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.777 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.59 51.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.96 78.49 1.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.749 HD11 ' HZ3' ' A' ' 59' ' ' TRP . 3.5 mm? 40.69 49.49 2.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.654 ' CB ' ' CE1' ' A' ' 22' ' ' HIS . 4.8 p 38.04 -149.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.983 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 21' ' ' THR . 3.2 m -145.59 28.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.654 ' CE1' ' CB ' ' A' ' 20' ' ' SER . 12.0 p-80 -123.11 -44.43 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.624 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.586 ' CE1' ' OG ' ' A' ' 20' ' ' SER . 1.9 p-80 -84.58 -30.17 25.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.61 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.686 ' CH2' HD11 ' A' ' 50' ' ' LEU . 25.4 t-105 -75.17 -43.97 49.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 108.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.6 tp -52.08 -28.04 16.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.796 ' ND2' HD13 ' A' ' 87' ' ' LEU . 27.3 t30 -66.06 -33.58 76.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.588 ' CE1' HD11 ' A' ' 46' ' ' LEU . 1.9 t80 -86.22 -40.05 15.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 9.6 tp -65.74 -11.97 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -84.98 -57.12 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.344 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' HB2' HD23 ' A' ' 87' ' ' LEU . . . -58.27 -43.38 87.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -56.82 -37.29 71.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -72.9 -17.93 61.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.175 . . . . 0.0 111.046 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -9.39 56.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.907 HD11 HD12 ' A' ' 86' ' ' ILE . 15.8 mt -112.65 -164.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 40.29 90.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.92 4.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.504 1.792 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.46 106.57 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.165 . . . . 0.0 111.045 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 39' ' ' SER . 18.4 Cg_endo -74.94 163.81 34.68 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 38' ' ' PRO . 2.4 t 85.24 -47.94 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 0.0 109.98 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.47 107.6 17.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.652 ' CD2' ' CE2' ' A' ' 43' ' ' PHE . 32.9 m-85 -93.79 -29.21 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 41' ' ' PHE . 4.0 m-20 78.12 32.91 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' CE2' ' CD2' ' A' ' 41' ' ' PHE . 13.0 m-85 -60.45 -15.04 22.82 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' GLN . 5.7 pt20 -67.08 -53.2 33.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' GLN . 10.1 mt-30 -70.48 -7.94 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -93.75 -40.52 10.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.36 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -59.17 -25.37 63.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -41.05 95.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.89 ' CZ ' HD22 ' A' ' 68' ' ' LEU . 6.8 t80 -68.47 -51.81 39.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.686 HD11 ' CH2' ' A' ' 24' ' ' TRP . 9.8 mt -61.46 -39.6 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -67.38 -28.03 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.71 HD21 HD23 ' A' ' 71' ' ' LEU . 3.7 tt -70.38 -57.35 4.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.653 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -55.56 -30.23 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.3 tp -63.53 -12.48 32.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -76.18 -1.08 24.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 56' ' ' THR . 13.2 t -153.61 96.29 2.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 68.29 5.85 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.871 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.32 -21.58 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.84 ' HB3' HD22 ' A' ' 67' ' ' LEU . 11.2 p-90 -95.76 -22.54 17.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.175 . . . . 0.0 107.931 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -67.75 -55.47 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.666 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 1.3 m-20 -46.44 -60.25 3.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -74.96 -11.32 21.55 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.2 tp 36.89 88.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -158.08 117.58 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.98 ' CE2' HG23 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -64.66 -8.89 16.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 t -67.54 -22.79 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.04 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.019 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.4 tt -91.54 -15.97 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.89 HD22 ' CZ ' ' A' ' 49' ' ' PHE . 5.5 mt -65.16 -61.68 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.77 -27.46 17.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -36.3 83.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.71 HD23 HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -71.95 -3.57 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.725 HG21 ' CG2' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -129.1 64.48 71.02 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.471 ' HD3' ' C ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.02 58.31 4.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt 75.48 48.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' TYR . . . -115.03 -109.75 2.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.486 ' C ' ' O ' ' A' ' 75' ' ' GLY . 2.9 m-85 -30.48 143.68 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.07 -178.76 4.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -46.99 175.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.636 ' C ' HD12 ' A' ' 83' ' ' ILE . 1.8 ttm-85 90.11 -9.28 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 81' ' ' VAL . 23.0 t -132.42 -82.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.725 ' CG2' HG21 ' A' ' 72' ' ' ILE . 6.6 t -56.22 -40.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.565 ' HG3' HD13 ' A' ' 34' ' ' LEU . 1.8 pt-20 -54.5 -20.92 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.865 HG12 HD12 ' A' ' 34' ' ' LEU . 5.3 mt -98.54 -25.81 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.98 HG23 ' CE2' ' A' ' 65' ' ' TYR . 1.4 mt -78.16 -50.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.06 -20.37 6.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.907 HD12 HD11 ' A' ' 34' ' ' LEU . 59.0 mt -79.75 -34.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.857 HD12 ' CE2' ' A' ' 65' ' ' TYR . 81.7 mt -59.27 -42.56 91.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.599 1.187 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.748 HG23 ' OH ' ' A' ' 65' ' ' TYR . 2.8 t -66.5 -53.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -20.49 18.39 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.413 1.071 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -89.65 -22.14 22.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.61 -57.51 4.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 92' ' ' VAL . 11.4 p -174.6 64.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.38 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.6 p -38.74 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.97 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 97' ' ' PRO . 18.4 Cg_endo -75.0 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -162.33 -43.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 0.0 109.957 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.833 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -40.48 -54.64 4.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.833 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 18.5 Cg_endo -74.99 -166.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.047 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 97' ' ' PRO . . . 73.68 -59.73 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.586 1.179 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.69 74.37 69.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.34 29.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.416 ' O ' ' HD2' ' A' ' 104' ' ' PRO . 66.2 t -132.07 67.72 79.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 103' ' ' THR . 18.2 Cg_endo -75.03 5.15 4.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.014 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.464 ' C ' ' O ' ' A' ' 102' ' ' PRO . 0.7 OUTLIER -33.97 -54.59 0.81 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.46 ' HD3' ' CB ' ' A' ' 103' ' ' THR . 18.2 Cg_endo -74.97 137.64 22.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.584 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -117.11 -39.52 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.412 ' N ' HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -177.04 75.48 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.326 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 109' ' ' THR . 18.2 Cg_endo -75.04 -31.46 6.13 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.547 1.814 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 108' ' ' THR . 4.7 t -64.03 76.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.455 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 107' ' ' PRO . 0.6 OUTLIER 55.37 166.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.446 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.747 HG23 ' HD2' ' A' ' 111' ' ' PRO . 2.5 m -138.62 146.48 50.79 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 110.433 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.747 ' HD2' HG23 ' A' ' 110' ' ' THR . 18.4 Cg_endo -74.97 155.58 43.05 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.49 1.784 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.93 17.37 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 155.9 42.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 155.48 43.2 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.12 21.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.383 1.728 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 117' ' ' PRO . 18.2 Cg_endo -74.97 155.53 43.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 116' ' ' PRO . 18.4 Cg_endo -74.94 -1.66 11.5 Favored 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.34 151.02 24.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -178.83 4.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.436 1.756 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -35.44 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -146.37 -78.98 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.443 ' C ' HG12 ' A' ' 123' ' ' VAL . 40.4 p-80 -174.37 119.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.593 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.443 HG12 ' C ' ' A' ' 122' ' ' HIS . 6.2 p 42.3 64.64 5.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 123' ' ' VAL . 18.3 Cg_endo -74.96 156.18 43.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.13 34.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 64.07 6.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.791 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.41 115.7 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 51.0 t -90.47 94.55 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -70.95 163.11 67.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 57.78 4.7 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.9 m 59.66 117.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 12.8 t -174.31 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 14.8 t -137.62 165.62 25.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -165.41 72.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 3.6 t 67.41 165.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.9 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 110.982 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 21.6 m170 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttp 56.29 59.9 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -42.57 132.73 4.76 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.28 85.52 1.93 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.409 0.711 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 4' ' ' ILE . 0.3 OUTLIER -169.95 -42.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.285 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -46.24 -62.74 1.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 55.02 -97.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.693 HD22 ' N ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -169.31 173.16 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.251 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.693 ' N ' HD22 ' A' ' 7' ' ' LEU . 89.9 p -113.54 93.87 29.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.026 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 136.28 20.25 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.499 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -46.34 -51.26 35.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.435 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 10' ' ' THR . 18.3 Cg_endo -75.02 85.69 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CD1' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -146.44 137.52 12.77 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 109.24 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 12' ' ' ILE . 18.3 Cg_endo -74.96 58.22 4.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HB2' HD12 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -157.73 42.39 0.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.88 153.94 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.237 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 17' ' ' ARG . 17.9 Cg_endo -75.04 53.7 3.43 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER 48.7 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.654 1.221 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.7 140.37 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.586 HD22 ' CE1' ' A' ' 23' ' ' HIS . 8.7 mt -80.19 82.03 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.24 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' LEU . 18.9 p -38.25 153.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.794 ' HB ' HD22 ' A' ' 25' ' ' LEU . 1.4 p -73.5 57.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.437 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -132.37 -45.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.586 ' CE1' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -100.89 -36.33 9.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.646 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.969 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 57.0 t-105 -75.77 -46.21 32.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.794 HD22 ' HB ' ' A' ' 21' ' ' THR . 6.0 tp -53.01 -19.48 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.412 ' OD1' HD22 ' A' ' 87' ' ' LEU . 50.4 t30 -76.73 -30.68 56.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.611 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 12.2 t80 -85.66 -45.0 12.1 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 6.4 tp -53.91 -18.2 3.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.49 -59.85 2.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.41 -41.79 85.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -61.48 -20.75 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -88.64 -28.82 20.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -23.14 61.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.866 HD12 HG12 ' A' ' 83' ' ' ILE . 38.8 mt -83.64 -159.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.88 80.32 10.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.93 4.07 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.524 1.802 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.76 -154.18 13.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.562 1.164 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -66.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 p -132.49 8.04 4.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 0.0 109.996 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 168.2 115.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' O ' ' CG ' ' A' ' 42' ' ' ASP . 14.4 t80 -89.75 -64.55 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.391 1.057 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 41' ' ' PHE . 24.9 m-20 -167.5 63.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -66.68 -8.52 28.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -67.38 -56.78 8.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.359 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -64.17 -11.41 30.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 46' ' ' LEU . 1.1 tt -88.8 -41.13 12.7 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.124 . . . . 0.0 109.379 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -65.21 -38.91 91.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' PHE . 35.9 ptt180 -64.9 -35.17 80.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.553 ' CD2' HG11 ' A' ' 80' ' ' VAL . 15.1 t80 -63.1 -44.11 96.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.969 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 10.8 mt -68.64 -49.51 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -58.24 -27.48 64.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.405 1.066 . . . . 0.0 109.366 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.774 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 tt -66.31 -52.86 43.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.677 ' HA ' HD22 ' A' ' 71' ' ' LEU . . . -59.99 -31.48 69.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.2 tp -53.02 -29.52 29.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -10.14 47.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.124 HG22 ' CG2' ' A' ' 58' ' ' ILE . 2.8 m -125.58 85.75 58.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 53.82 3.46 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.527 1.804 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.124 ' CG2' HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -115.86 -20.78 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.815 ' HB3' HD22 ' A' ' 67' ' ' LEU . 23.2 p-90 -96.97 -20.64 17.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 108.02 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -72.3 -51.45 20.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.583 1.177 . . . . 0.0 109.368 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -49.08 -59.47 6.36 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.639 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.3 Cg_endo -75.01 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.571 HD11 ' HB3' ' A' ' 23' ' ' HIS . 2.6 tp 37.48 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -163.0 114.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.889 ' CE1' HD12 ' A' ' 68' ' ' LEU . 13.2 t80 -69.18 -4.57 18.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.024 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -91.89 -17.65 24.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.889 HD12 ' CE1' ' A' ' 65' ' ' TYR . 4.6 mt -62.32 -59.94 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -50.32 -22.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 t -73.77 -46.11 47.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.04 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -55.34 -41.86 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.775 HD11 HD12 ' A' ' 84' ' ' ILE . 5.1 mt -38.82 99.24 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.3 Cg_endo -75.01 91.92 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.057 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' GLY . 0.1 OUTLIER 67.74 149.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.363 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -34.67 117.56 0.24 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.557 1.161 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.41 160.54 31.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.46 1.769 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 51.29 -175.25 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.65 19.52 20.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 0.74 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.843 ' HA ' HD12 ' A' ' 83' ' ' ILE . 1.0 OUTLIER -60.7 -47.3 93.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.751 HG22 HD13 ' A' ' 72' ' ' ILE . 20.5 t -65.49 -38.28 82.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.632 1.208 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -57.63 -16.41 10.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.866 HG12 HD12 ' A' ' 34' ' ' LEU . 7.1 mt -91.94 -18.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.775 HD12 HD11 ' A' ' 72' ' ' ILE . 10.9 mt -94.9 -49.44 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 86' ' ' ILE . 20.2 p-10 -48.83 -24.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.371 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.848 ' CD1' HD21 ' A' ' 34' ' ' LEU . 25.6 mt -75.3 -40.65 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.363 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.538 HD12 ' CE2' ' A' ' 65' ' ' TYR . 24.6 mt -63.41 -40.83 98.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 92' ' ' VAL . 5.8 t -68.71 -48.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -3.02 37.09 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' ILE . 4.6 p-10 -53.71 -23.48 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 0.8 OUTLIER 179.57 63.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 88' ' ' VAL . 83.0 t -144.33 -58.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m 44.76 88.79 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 171.82 17.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.54 1.811 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.4 p -145.76 -47.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.048 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -41.96 -54.62 6.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 18.2 Cg_endo -74.97 -36.79 2.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 49.22 60.89 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.058 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -72.86 163.49 67.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 18.3 Cg_endo -75.02 69.71 5.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.665 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 20.9 t -76.7 -42.96 3.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.1 Cg_endo -75.03 -76.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 110.956 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 102' ' ' PRO . 1.2 t -36.9 97.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 102' ' ' PRO . 18.5 Cg_endo -74.94 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.739 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -128.14 31.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.6 m -46.03 150.46 1.05 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.5 ' O ' HG22 ' A' ' 109' ' ' THR . 18.5 Cg_endo -75.01 142.61 28.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 109' ' ' THR . 73.2 p 38.86 -154.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 107' ' ' PRO . 13.5 t 41.94 -163.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.48 HG23 HG23 ' A' ' 109' ' ' THR . 12.4 p 40.51 70.17 1.63 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 110.393 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.35 18.48 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.521 1.801 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.566 1.824 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.63 30.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 18.2 Cg_endo -75.0 156.46 42.98 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 115' ' ' PRO . 18.3 Cg_endo -74.98 155.16 43.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 127.71 10.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.56 1.821 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.4 m -68.32 157.77 86.66 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 121' ' ' ALA . 18.7 Cg_endo -74.93 64.98 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 64.78 -75.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 119' ' ' PRO . . . -175.81 -59.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 70.51 -63.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.528 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 123' ' ' VAL . 23.6 m -117.52 87.42 25.53 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 155.23 43.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.24 42.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.425 ' HB2' ' HA ' ' A' ' 130' ' ' PRO . 18.2 Cg_endo -74.96 55.82 4.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.578 1.831 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 129' ' ' GLU . 3.8 p90 -72.08 172.96 9.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 52.6 t 63.78 -79.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -114.22 92.06 25.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 126' ' ' PRO . 18.2 Cg_endo -75.1 156.96 42.58 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 77.7 p 44.13 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.059 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.7 t -172.65 138.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.39 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 11.6 p 38.87 -153.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 64.68 157.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.57 167.5 8.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 108.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 111.041 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.405 ' NE2' ' O ' ' A' ' 3' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttp 178.73 139.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.33 -61.12 4.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.405 ' O ' ' NE2' ' A' ' 0' ' ' HIS . 0.0 OUTLIER -67.38 138.17 56.52 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 0.787 . . . . 0.0 110.246 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 4' ' ' ILE . 53.4 mt -121.37 73.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.554 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -178.19 -60.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.547 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.91 65.21 2.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 5' ' ' HIS . 1.9 pp -117.94 -45.29 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.6 p -117.4 150.21 46.09 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.93 ' O ' HG22 ' A' ' 10' ' ' THR . 18.2 Cg_endo -75.04 179.09 6.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.93 HG22 ' O ' ' A' ' 9' ' ' PRO . 5.5 t 58.14 145.7 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.378 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 10' ' ' THR . 18.4 Cg_endo -75.0 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.61 HG12 ' HB2' ' A' ' 15' ' ' ALA . 14.0 tt -150.67 74.59 8.68 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 0.21 9.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.559 1.82 . . . . 0.0 111.003 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.77 -15.93 25.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.847 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . . . -65.13 -54.58 32.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.39 1.056 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.847 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 -69.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.468 1.773 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.494 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 4.0 tpt180 56.48 93.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.32 -94.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 20' ' ' SER . 6.3 tp -104.34 105.51 15.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.494 ' OG ' ' CZ ' ' A' ' 17' ' ' ARG . 2.0 t 162.38 115.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' HIS . 4.9 m 57.77 160.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 110.458 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 68.92 -67.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' THR . 73.0 m-70 -77.29 -43.65 32.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.605 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.628 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 52.1 t-105 -71.08 -43.3 68.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 107.965 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 25' ' ' LEU . 8.4 tp -53.52 -26.64 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.476 ' O ' HD21 ' A' ' 87' ' ' LEU . 58.1 t30 -73.01 -23.54 60.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.955 ' CE1' HD21 ' A' ' 46' ' ' LEU . 2.6 t80 -95.29 -40.27 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.065 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -62.62 -30.33 71.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -71.45 -51.77 22.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.53 ' HB2' HD21 ' A' ' 87' ' ' LEU . . . -59.31 -44.74 92.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HB2' HG21 ' A' ' 83' ' ' ILE . . . -60.07 -24.95 65.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -23.91 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.95 -11.89 60.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.025 HD21 HD11 ' A' ' 86' ' ' ILE . 16.7 mt -100.54 -160.69 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER 168.91 -54.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.331 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 35' ' ' GLN . 18.1 Cg_endo -75.01 122.43 7.2 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.76 152.55 6.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.0 Cg_endo -75.04 -89.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.462 1.769 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 8.7 p 68.8 -64.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' N ' ' OG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER 159.9 -72.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 41' ' ' PHE . 78.5 t80 -141.27 14.48 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 2.4 m-20 65.34 50.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 42' ' ' ASP . 1.3 m-85 171.1 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -65.75 -54.38 27.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.53 -20.38 55.12 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.955 HD21 ' CE1' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -82.58 -56.25 3.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -20.7 18.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 4.91 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.893 ' CZ ' HD11 ' A' ' 72' ' ' ILE . 15.1 t80 -117.36 -38.48 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 46' ' ' LEU . 7.3 mt -68.83 -54.53 15.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -27.63 49.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.694 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 tt -65.98 -51.98 53.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.225 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.681 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -57.86 -29.74 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 54' ' ' LEU . 1.8 tp -64.43 -12.43 43.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -75.7 -2.8 31.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 56' ' ' THR . 14.7 t -150.04 95.8 3.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.554 1.159 . . . . 0.0 110.422 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.519 1.799 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.852 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -119.87 -22.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.708 ' HB3' HD22 ' A' ' 67' ' ' LEU . 15.8 p-90 -95.81 -21.96 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -71.35 -51.39 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.645 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -47.85 -59.42 5.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.645 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.4 Cg_endo -74.97 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.3 tp 35.79 89.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -169.6 112.03 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.588 ' OH ' ' CD2' ' A' ' 27' ' ' PHE . 1.3 t80 -64.23 -9.89 20.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -60.13 -18.91 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.0 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.3 tt -92.56 -17.89 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.681 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.9 mt -69.67 -61.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.437 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -51.14 -22.03 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -74.89 -36.17 62.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.413 1.071 . . . . 0.0 109.951 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.55 -41.98 77.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.893 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 36.1 mt -65.67 126.11 91.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.598 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.97 47.75 1.82 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.429 1.752 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 22.92 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.72 -7.52 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.487 1.117 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.641 ' HB2' HG23 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -44.01 166.1 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.369 0.688 . . . . 0.0 110.951 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.04 -172.23 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 46.93 -174.56 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 23.78 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 0.748 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.853 ' HA ' HD12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -57.86 -44.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.75 HG22 HG21 ' A' ' 72' ' ' ILE . 9.2 t -63.83 -39.39 85.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -27.09 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.074 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.853 HD12 ' HA ' ' A' ' 80' ' ' VAL . 11.5 mt -77.62 -28.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.608 HG12 ' CE2' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -84.9 -38.34 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -52.81 -26.6 14.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.025 HD11 HD21 ' A' ' 34' ' ' LEU . 18.9 mt -75.79 -36.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 30' ' ' ALA . 10.4 mt -76.18 -42.9 44.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.928 ' O ' HG13 ' A' ' 92' ' ' VAL . 4.9 t -59.79 -47.13 92.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -16.61 32.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -96.52 -14.33 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.394 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -129.86 42.1 3.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 110.246 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.928 HG13 ' O ' ' A' ' 88' ' ' VAL . 1.7 m -103.88 -39.18 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 94' ' ' PRO . 0.5 OUTLIER -56.04 -54.32 53.71 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 93' ' ' SER . 18.2 Cg_endo -75.08 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.06 -60.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.966 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.837 ' HB3' ' HD3' ' A' ' 97' ' ' PRO . . . -43.0 -54.36 9.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.837 ' HD3' ' HB3' ' A' ' 96' ' ' ALA . 18.2 Cg_endo -75.03 164.99 32.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -88.74 94.71 10.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.75 70.04 81.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -48.56 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.592 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 1.5 t -76.83 -46.92 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 101' ' ' VAL . 18.4 Cg_endo -74.94 166.61 28.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.442 1.759 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.02 154.37 24.19 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.17 3.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.6 tp -52.32 -38.39 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 22.1 m -44.77 118.5 3.48 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 108.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.91 4.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.551 1.816 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 108' ' ' THR . 71.8 p -40.44 -51.61 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.4 p -141.07 128.36 21.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.758 HG23 ' HD2' ' A' ' 111' ' ' PRO . 2.5 m 63.14 146.67 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 110.463 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.758 ' HD2' HG23 ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.07 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.2 16.84 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.444 1.76 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 113.57 3.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 113.57 3.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 155.91 42.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 165.7 30.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 58.62 4.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.455 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.0 OUTLIER -78.02 -54.08 1.34 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.967 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.4 Cg_endo -74.94 66.74 5.96 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.6 69.47 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.436 ' C ' ' CG ' ' A' ' 122' ' ' HIS . . . 63.36 143.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.616 ' CD2' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -176.26 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.631 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.2 p 40.6 86.87 0.12 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.56 28.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.43 1.753 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.08 42.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -38.94 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -91.93 157.66 16.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 128' ' ' VAL . 32.7 m -143.81 92.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 0.0 OUTLIER -78.05 -52.09 1.59 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 129' ' ' GLU . 18.2 Cg_endo -75.04 55.75 4.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 130' ' ' PRO . 1.5 t 38.47 49.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.525 ' OG1' HG21 ' A' ' 128' ' ' VAL . 53.0 m 50.41 -102.03 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 72.5 p -46.47 128.11 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 0.0 110.43 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 38.89 -157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.52 160.64 25.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 54.4 t60 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.5 55.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.71 54.21 0.04 OUTLIER Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.74 157.03 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 0.801 . . . . 0.0 110.357 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.6 mm -143.26 -73.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.432 ' CG ' ' N ' ' A' ' 6' ' ' GLY . 18.0 p-80 -130.67 -56.08 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.432 ' N ' ' CG ' ' A' ' 5' ' ' HIS . . . -151.47 67.19 0.34 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.562 ' C ' HD12 ' A' ' 7' ' ' LEU . 2.4 pp -155.98 176.84 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.458 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 168.3 -54.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.002 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.4 Cg_endo -75.01 -179.66 5.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.08 154.41 43.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.389 1.731 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 61' ' ' ASN . 2.1 pp -138.85 154.55 72.93 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.28 27.4 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.61 95.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HA ' ' NH2' ' A' ' 17' ' ' ARG . . . 39.92 88.9 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.07 -18.16 18.81 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.447 1.761 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' CG ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -63.65 77.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -136.6 152.86 21.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.544 1.152 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD12 HD11 ' A' ' 60' ' ' LEU . 0.1 OUTLIER 53.88 -169.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.26 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.608 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 2.3 t 93.98 -65.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -163.69 -47.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.624 ' CE1' ' O ' ' A' ' 19' ' ' LEU . 1.4 p80 -54.06 -17.62 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.614 1.196 . . . . 0.0 109.591 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.608 ' NE2' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -114.64 -41.83 3.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.549 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.75 ' CZ3' HD11 ' A' ' 50' ' ' LEU . 49.8 t-105 -64.23 -43.14 95.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 25' ' ' LEU . 10.9 tp -52.56 -34.46 50.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.718 ' O ' HD21 ' A' ' 87' ' ' LEU . 52.0 t30 -64.83 -19.47 65.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.163 ' CE2' HD21 ' A' ' 46' ' ' LEU . 2.6 t80 -103.4 -40.17 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 32' ' ' TYR . 15.9 tp -61.86 -26.7 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -74.06 -55.7 5.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -41.1 72.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.71 -35.57 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -75.96 -19.37 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.61 -5.68 59.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.913 HD21 HD11 ' A' ' 86' ' ' ILE . 26.8 mt -99.13 -108.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 40.76 76.36 0.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.5 3.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.426 1.75 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.51 -86.24 0.43 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 127.03 10.37 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.558 1.82 . . . . 0.0 111.008 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 87.3 p -112.4 -72.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.541 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 0.4 OUTLIER 74.4 -68.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 6.5 m-85 -156.2 -75.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' OD2' ' A' ' 42' ' ' ASP . 7.8 t0 68.46 31.73 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -116.49 -16.03 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.89 -53.25 22.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.4 ' HA ' ' CD ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -63.97 -10.63 22.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.163 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -94.75 -56.07 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -20.87 6.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' CD ' ' HA ' ' A' ' 45' ' ' GLN . 8.5 ptm180 -87.45 -15.72 36.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 72' ' ' ILE . 6.7 t80 -98.87 -34.37 10.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.75 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 7.5 mt -69.52 -53.28 19.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -55.35 -27.11 45.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -66.69 -51.94 50.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.37 1.044 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.67 ' HB1' ' CE2' ' A' ' 59' ' ' TRP . . . -61.39 -32.51 72.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -63.94 -11.94 32.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' CE ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 ptpt -77.47 -3.47 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 56' ' ' THR . 14.9 t -147.95 94.98 4.24 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.47 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 66.69 6.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.964 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.859 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -120.39 -22.28 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 67' ' ' LEU . 17.9 p-90 -95.59 -20.63 18.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.685 HD11 HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -73.43 -49.93 24.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.638 ' CB ' ' HD3' ' A' ' 62' ' ' PRO . 0.7 OUTLIER -48.76 -58.96 7.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.638 ' HD3' ' CB ' ' A' ' 61' ' ' ASN . 18.2 Cg_endo -75.07 -2.34 12.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 63' ' ' ILE . 2.1 tp 35.45 89.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.77 111.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.627 ' OH ' ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -63.11 -10.59 15.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.7 p -58.44 -20.65 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 67' ' ' LEU . 6.2 tt -93.63 -18.03 22.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD21 ' CB ' ' A' ' 53' ' ' ALA . 4.9 mt -67.58 -61.36 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.06 -23.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -78.54 -39.62 37.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.996 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.768 HD12 ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -55.91 -43.79 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.708 HD13 HG22 ' A' ' 81' ' ' VAL . 4.5 mt -37.42 97.95 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . 18.1 Cg_endo -75.04 109.69 2.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.373 1.723 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 75' ' ' GLY . 4.7 mmmm 68.76 119.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' LYS . . . -33.58 117.91 0.19 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.33 170.32 10.43 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.506 0.768 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.55 18.1 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 79' ' ' ARG . . . -55.59 172.41 1.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.518 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 9.9 mtt85 80.86 1.22 1.77 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.438 0.728 . . . . 0.0 110.228 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 81' ' ' VAL . 26.6 t -136.55 -83.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 72' ' ' ILE . 6.3 t -57.71 -39.19 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.55 ' OE2' HD22 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -56.43 -21.74 27.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 34' ' ' LEU . 9.0 mt -89.24 -37.12 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.599 HG12 ' CE1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -75.61 -33.84 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -54.87 -36.91 65.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.913 HD11 HD21 ' A' ' 34' ' ' LEU . 12.7 mt -64.06 -46.34 94.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.718 HD21 ' O ' ' A' ' 26' ' ' ASN . 26.4 mt -62.88 -42.61 99.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.6 t -65.15 -52.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -68.12 -9.19 44.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 10.3 t-20 -57.77 -42.12 83.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.711 ' O ' HG12 ' A' ' 92' ' ' VAL . 0.3 OUTLIER 173.27 39.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.711 HG12 ' O ' ' A' ' 91' ' ' GLN . 9.7 p 49.97 23.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.5 m -150.48 86.98 4.95 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.473 ' O ' ' CB ' ' A' ' 95' ' ' SER . 18.3 Cg_endo -74.87 -167.94 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.541 1.811 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 94' ' ' PRO . 2.7 t 84.56 -70.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 109.973 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -156.4 92.16 2.53 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' CB ' ' OD1' ' A' ' 90' ' ' ASN . 18.2 Cg_endo -75.01 -58.03 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 101' ' ' VAL . . . 47.46 54.8 9.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.837 ' HB3' ' HD3' ' A' ' 100' ' ' PRO . . . -76.5 -54.07 1.9 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.837 ' HD3' ' HB3' ' A' ' 99' ' ' ALA . 18.4 Cg_endo -74.96 -42.79 0.46 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.542 1.812 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.516 ' O ' ' HB1' ' A' ' 98' ' ' ALA . 2.4 p -115.12 90.97 25.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.248 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -56.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 111.038 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.5 155.46 37.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' ILE . 18.6 Cg_endo -74.91 157.34 43.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 111.03 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -39.54 148.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.4 t -43.3 136.36 3.07 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.9 4.48 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.3 p 38.81 -153.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -138.2 62.39 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 110' ' ' THR . 3.0 m -154.33 74.34 6.04 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 156.51 43.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.436 1.756 . . . . 0.0 111.046 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 155.59 42.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.56 1.821 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 113.57 3.82 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.408 1.741 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.53 42.95 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.546 1.814 . . . . 0.0 111.046 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 118' ' ' SER . 18.2 Cg_endo -75.01 -176.75 3.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.494 ' N ' ' CD ' ' A' ' 119' ' ' PRO . 0.6 OUTLIER 163.02 -52.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -75.01 -42.69 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.558 1.82 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.73 168.03 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 123' ' ' VAL . . . -88.23 -61.07 1.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 5.3 m170 66.61 -73.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.536 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 121' ' ' ALA . 20.2 m -143.5 154.77 60.46 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.75 38.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.538 1.809 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 155.46 43.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -54.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.552 1.817 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.522 ' CD1' ' CG ' ' A' ' 130' ' ' PRO . 1.4 m-85 -149.13 149.31 30.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 88.0 t -136.07 -56.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 130' ' ' PRO . 1.8 mm-40 -39.04 -52.72 3.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.618 ' O ' HG22 ' A' ' 131' ' ' THR . 18.4 Cg_endo -75.04 -72.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.467 1.772 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.618 HG22 ' O ' ' A' ' 130' ' ' PRO . 14.0 t 46.79 -173.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 67.5 p -84.54 101.58 12.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 22.8 m 51.62 85.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 110.378 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 129' ' ' GLU . 0.2 OUTLIER -45.45 -59.42 2.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 110.323 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.2 160.91 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.253 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 -179.98 . . . . . . . . 0 0 . 1 stop_ save_