data_2k6q_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 2k6q _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.467 0.175 . . . . 71.11 110.991 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -43.68 -43.41 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 75.23 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 15' ' ' GLN . 4.2 mp0 -69.57 -34.81 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 75.04 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' PHE . 16.1 tpp180 -77.03 -17.39 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.24 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 106' ' ' ASP . 71.3 t -87.82 -42.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 73.55 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -61.47 -48.79 79.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.55 110.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.32 -36.51 6.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 75.14 109.319 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.522 HG22 ' CD2' ' A' ' 108' ' ' PHE . 2.4 t -69.95 -44.54 78.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 74.15 109.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -38.71 -48.31 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 73.35 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -54.71 -55.93 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 71.15 109.319 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.498 HD12 ' CG ' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -60.1 -25.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 75.23 109.357 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -76.75 -34.25 58.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 74.04 110.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -96.73 -4.93 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 75.54 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 33.1 mt-30 -113.71 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 74.23 110.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 8.5 m-70 -117.49 80.54 13.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 74.54 109.619 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -31.42 6.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 74.04 111.015 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 p -90.09 29.62 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.21 110.35 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -134.7 145.64 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 75.02 109.287 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.5 HG21 ' CG ' ' A' ' 99' ' ' TYR . 14.2 mm -99.64 117.75 63.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 70.42 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -75.0 138.78 23.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 60.01 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.61 153.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 72.13 109.274 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.562 HG12 ' CE1' ' A' ' 108' ' ' PHE . 25.1 mm -122.11 98.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 73.34 109.262 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CD1' HD13 ' A' ' 67' ' ' ILE . 20.3 mt -96.37 125.88 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 71.31 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -142.69 162.03 36.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.35 110.257 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.71 141.28 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 73.24 110.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.85 139.08 56.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 72.52 110.992 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 8.2 mtmp? -55.26 94.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 73.55 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.06 19.85 7.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 74.45 111.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' CD ' ' CB ' ' A' ' 114' ' ' ALA . 8.7 tp10 -84.81 115.13 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 0.731 . . . . 74.3 110.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -113.73 -12.54 12.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 72.3 109.283 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -74.13 -86.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 65.43 110.275 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 HD13 ' CA ' ' A' ' 114' ' ' ALA . 19.4 mt -54.77 143.91 48.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 74.32 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.813 . . . . 74.43 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 p -73.63 115.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 73.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -40.36 150.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 72.3 109.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 70.44 109.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -132.81 165.7 23.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 64.03 109.275 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -102.68 -33.71 9.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 64.23 110.392 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HB3' ' CE3' ' B' ' 338' ' ' TRP . 22.2 mtmm -96.05 137.71 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 74.5 109.296 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -139.05 130.28 26.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 72.04 110.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.558 HD21 ' CE3' ' B' ' 338' ' ' TRP . 3.5 mt -95.42 104.17 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 74.13 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.5 t -91.48 141.63 26.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 73.55 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.99 135.38 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 72.21 111.021 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.5 p-10 -87.11 46.01 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.21 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CE1' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.17 21.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.42 109.625 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.422 ' CG1' ' CE1' ' A' ' 57' ' ' HIS . 35.0 m -137.15 -167.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 73.11 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.22 150.75 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.01 109.338 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.491 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.8 ppp? -44.73 -28.08 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 75.42 111.017 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.463 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -55.54 -50.8 69.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 60.52 109.993 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 11.1 mm-40 -43.65 -57.4 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 65.32 110.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 8.6 tp -40.38 -38.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 75.35 109.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 64' ' ' ILE . 5.8 mm -63.05 -64.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 73.44 109.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.67 -22.86 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 65.21 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' B' ' 341' ' ' LEU . 2.7 mm -78.45 -47.04 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 73.3 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 14.6 mm -55.87 -55.37 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 74.11 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 14.0 mtp180 -40.58 -49.45 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 75.11 110.34 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' NH1' ' H ' ' B' ' 347' ' ' ASP . 8.7 mmp_? -53.5 -43.34 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.23 110.32 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -64.21 -53.35 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 71.15 110.32 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' HD23 ' A' ' 47' ' ' LEU . 60.1 mt -66.72 -16.74 64.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 72.23 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' ARG . 24.8 pt20 38.57 56.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 75.43 110.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 mt -88.99 169.08 11.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 75.2 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -89.84 173.12 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 74.2 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.06 -8.19 53.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 64.32 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -92.31 -34.63 14.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 74.34 109.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.43 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -66.05 146.99 54.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.3 110.34 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -111.49 126.5 55.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.3 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -134.16 135.37 43.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 75.54 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.486 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 21.6 m-85 -143.23 117.08 9.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 74.22 110.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.479 ' CD1' HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -85.71 116.39 23.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.43 109.277 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -91.32 120.0 31.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.12 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.499 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 2.7 t -86.51 111.9 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 75.33 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.425 ' ND2' ' OE1' ' A' ' 102' ' ' GLU . 1.5 m-20 69.2 11.32 8.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 73.33 109.244 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.17 5.6 49.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 75.13 110.996 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 22.4 p80 -126.35 130.09 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 74.02 109.6 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.43 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 0.1 OUTLIER -57.73 172.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 72.54 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.51 41.33 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 74.41 110.985 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -39.41 -30.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 72.21 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 m -120.59 103.21 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 61.44 110.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.491 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -107.48 89.65 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 75.24 109.266 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.2 m -127.25 16.42 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 74.42 109.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 3.0 m -127.68 146.43 58.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 72.01 110.39 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.02 143.22 28.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 74.22 110.976 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -52.25 -21.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.51 109.321 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.4 p -70.63 -41.05 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.11 110.024 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' SER . 10.9 mm-40 -82.1 -52.32 7.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 74.43 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.454 HG23 ' CG2' ' A' ' 93' ' ' THR . 3.2 t -45.98 -30.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 74.24 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CG ' HG21 ' A' ' 31' ' ' ILE . 3.6 t80 -75.26 -56.44 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.42 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -71.79 -4.6 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 74.24 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.8 m -104.37 -3.43 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 63.15 109.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 14.8 mm-40 -134.32 -59.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 75.1 110.263 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 3.2 ppt_? -38.33 157.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 74.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -105.73 177.6 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 52.11 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -45.95 -33.47 3.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 74.25 110.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.489 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -45.87 -45.67 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 72.31 109.291 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.43 27.49 10.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 52.32 110.97 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -137.85 128.16 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 73.31 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.443 HD13 ' CE ' ' A' ' 111' ' ' MET . 4.5 mt -78.86 152.84 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 67.6 m-85 -134.92 107.44 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.44 110.986 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.443 ' CE ' HD13 ' A' ' 109' ' ' LEU . 7.5 mtt -124.85 143.01 51.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 71.41 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.6 t -115.54 123.19 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 74.1 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 47' ' ' LEU . 13.4 p90 -103.21 152.44 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 73.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.458 ' CA ' HD13 ' A' ' 44' ' ' LEU . . . -171.48 177.3 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 72.12 109.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.0 t -91.58 29.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 63.34 109.99 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -149.87 120.67 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 70.45 110.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 5.4 tt0 -105.99 -6.4 18.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 74.01 110.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 62.51 110.411 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 74.41 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.755 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 6.7 m0 -69.64 -151.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 73.43 108.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.475 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 3.6 m -91.32 157.37 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.25 110.395 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 121.51 43.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 75.33 109.549 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.1 OUTLIER -96.16 84.0 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 73.23 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.466 ' HB3' ' CE ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -93.54 130.57 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 63.13 110.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.81 9.75 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 65.44 109.999 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.466 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.06 -23.24 16.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 73.3 109.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.32 -0.66 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 61.52 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 4.4 m -77.43 167.96 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 74.23 109.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . 0.407 ' H ' ' NH1' ' A' ' 69' ' ' ARG . 31.2 t70 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.45 109.322 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.539 0.209 . . . . 71.11 111.045 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.463 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -52.51 -19.62 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 75.23 110.229 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -75.79 -41.28 53.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 75.04 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -79.47 -49.47 12.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 74.24 110.378 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' CG1' ' CB ' ' A' ' 106' ' ' ASP . 3.2 m -44.0 -41.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 73.55 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.84 -44.44 93.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 74.55 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' CG ' ' NZ ' ' A' ' 51' ' ' LYS . 2.4 t0 -54.12 -33.34 57.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 75.14 109.233 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.536 HG21 ' CD2' ' A' ' 108' ' ' PHE . 2.6 t -69.37 -44.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.15 109.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' VAL . 39.3 ttt85 -38.62 -41.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.35 110.258 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -68.23 -61.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 71.15 109.341 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.567 ' HB ' ' CZ2' ' B' ' 338' ' ' TRP . 1.1 tp -46.95 -25.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.23 109.3 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 8.5 mmm180 -79.71 -39.19 31.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 74.04 110.303 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.9 pt-20 -89.37 -4.38 58.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 75.54 110.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LEU . 66.2 mt-30 -111.25 -56.87 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.23 110.339 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.584 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 23.2 m-70 -117.64 80.09 13.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 74.54 109.633 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.94 -31.28 6.44 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.551 1.817 . . . . 74.04 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 p -90.18 28.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 72.21 110.415 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -136.13 147.19 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 75.02 109.274 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.492 HG21 ' CD2' ' A' ' 99' ' ' TYR . 29.6 mm -100.0 117.11 63.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 70.42 109.295 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.571 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.4 Cg_endo -74.94 138.41 23.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 60.01 110.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.42 156.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 72.13 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 108' ' ' PHE . 25.4 mm -128.58 95.49 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 73.34 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.6 mt -93.84 120.35 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 71.31 109.335 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -128.47 166.93 17.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 73.35 110.302 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 ptt85 -77.26 138.89 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 73.24 110.385 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.06 139.13 55.27 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.569 1.168 . . . . 72.52 111.004 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 22.6 mtmm -57.32 96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 73.55 109.244 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.91 17.65 8.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 74.45 111.03 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.5 tp10 -105.66 107.3 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 74.3 110.258 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -31.31 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 72.3 109.219 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.424 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.9 mm-40 -39.17 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 65.43 110.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 115' ' ' SER . 2.8 mt -58.41 151.68 48.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.32 109.289 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 165.12 32.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 74.43 111.093 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' LEU . 2.6 p -73.71 114.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 73.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.26 141.89 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 72.3 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 49' ' ' LYS . 2.6 m-20 -40.55 -39.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 70.44 109.244 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -159.3 -171.14 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 64.03 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.5 -28.45 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 64.23 110.388 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 6.7 mtmt -90.61 130.13 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 74.5 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -140.18 136.9 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 72.04 110.986 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.584 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 8.9 mt -105.07 103.16 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 74.13 109.233 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.486 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.1 p -95.84 143.85 26.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.441 1.088 . . . . 73.55 109.3 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.98 130.42 13.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 72.21 110.974 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.34 52.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.21 109.266 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CE1' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.57 21.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 74.42 109.622 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.441 HG11 ' CE1' ' A' ' 57' ' ' HIS . 34.1 m -138.28 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 73.11 109.344 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.416 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -110.98 162.18 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 71.01 109.276 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.498 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.6 ppp? -58.89 -25.18 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 75.42 111.041 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 64' ' ' ILE . 0.9 OUTLIER -58.7 -50.56 73.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 60.52 110.052 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' LYS . 11.0 mm-40 -42.28 -52.48 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.32 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.418 HD11 ' CG1' ' A' ' 67' ' ' ILE . 4.8 tp -47.4 -39.89 16.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.35 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' SER . 8.1 mm -59.46 -39.61 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 73.44 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 68.9 mttt -72.9 -37.98 67.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 65.21 109.225 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' B' ' 342' ' ' SER . 15.5 mm -66.37 -30.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 73.3 109.299 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 20.1 mm -77.1 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 74.11 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -44.71 -40.45 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 75.11 110.268 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 5.1 mmt180 -61.04 -37.42 82.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 73.23 110.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.0 mtt85 -69.02 -49.09 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 71.15 110.307 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.57 -17.5 55.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 72.23 109.27 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 38.85 50.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 75.43 110.273 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 44' ' ' LEU . 2.2 mt -79.52 -178.52 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 75.2 109.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.67 174.79 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 74.2 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.41 -24.24 62.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 64.32 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -77.58 -38.09 49.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.34 109.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.566 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 1.7 tm0? -64.97 143.48 57.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 75.3 110.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.566 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -112.61 139.79 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 75.3 109.337 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -142.29 137.05 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 75.54 111.025 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -143.16 134.93 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.22 110.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.31 114.24 26.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 75.43 109.306 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.2 mm? -92.49 109.69 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 74.12 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.599 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 3.9 t -80.4 111.86 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.33 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.6 OUTLIER 69.4 8.42 6.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 73.33 109.325 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 11.41 35.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.456 1.098 . . . . 75.13 110.926 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 15.3 p80 -132.35 142.97 49.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 74.02 109.675 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.15 166.58 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 72.54 109.976 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.8 11.67 18.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 74.41 111.029 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.7 p -39.96 135.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 72.21 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.8 OUTLIER 86.44 21.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 61.44 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.498 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -38.72 99.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 75.24 109.321 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.1 m -132.36 15.52 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.42 109.995 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 90.1 m -130.11 143.27 48.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 72.01 110.383 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.01 144.51 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 74.22 110.95 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.55 -20.84 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.51 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.2 p -67.0 -38.25 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.11 109.955 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 100' ' ' GLU . 40.5 mt-10 -89.39 -51.67 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 74.43 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.1 t -42.77 -36.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 74.24 109.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.573 ' CD2' HD22 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.75 -37.23 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 73.42 111.012 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 pt-20 -79.49 -4.02 49.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 74.24 110.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.45 5.81 13.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.15 110.045 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ARG . 10.2 mm-40 -135.49 -51.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 75.1 110.344 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.6 ppt_? -36.22 153.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 74.0 110.238 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -110.16 -179.41 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 52.11 109.277 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -38.71 -53.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.25 110.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.464 ' CB ' ' CG1' ' A' ' 17' ' ' VAL . 23.6 p-10 -44.65 -49.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 72.31 109.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 101.67 23.84 9.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 52.32 111.026 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.732 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.64 131.28 56.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 0.765 . . . . 73.31 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.29 141.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 71.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.401 ' OH ' ' OD2' ' A' ' 106' ' ' ASP . 93.9 m-85 -126.42 107.58 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 75.44 110.984 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.7 mtt -131.39 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 71.41 111.038 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 3.7 t -103.82 134.49 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 74.1 109.358 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 2.7 p90 -112.9 143.92 43.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 73.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -156.71 178.36 10.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 72.12 109.27 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.551 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 30.2 t -88.77 18.28 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 63.34 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -150.09 150.38 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 70.45 110.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.578 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 2.7 tt0 -123.92 -1.82 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 74.01 110.221 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 62.51 110.417 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.314 -0.624 . . . . 74.41 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.732 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.6 m0 -78.74 -153.58 0.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.54 1.15 . . . . 73.43 107.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -94.19 160.57 14.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 75.25 110.36 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.33 130.87 55.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 75.33 109.558 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 6.0 mt -97.63 113.61 25.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.484 1.115 . . . . 73.23 109.302 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -105.25 130.95 53.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 63.13 110.054 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.05 3.92 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 65.44 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.425 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -94.63 -29.57 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 73.3 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.59 -0.68 43.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 61.52 110.345 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 66' ' ' ILE . 4.8 m -75.62 -176.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 74.23 109.354 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 64.45 109.284 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.516 0.198 . . . . 71.11 111.045 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.99 -39.91 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 75.23 110.274 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 75.04 110.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.494 ' CD ' ' OH ' ' A' ' 110' ' ' TYR . 18.2 ttm105 -74.57 -60.21 2.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 74.24 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -45.09 -29.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 73.55 109.333 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -81.66 -40.01 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 74.55 110.243 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 51' ' ' LYS . 13.5 t70 -60.83 -31.4 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 75.14 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.76 -37.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 74.15 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -42.84 -41.47 3.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 73.35 110.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.5 mt -64.48 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 71.15 109.29 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.524 HD11 ' CG ' ' B' ' 338' ' ' TRP . 1.1 tp -48.72 -24.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 75.23 109.236 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -81.23 -35.65 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.04 110.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.3 pt-20 -91.25 -5.13 55.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 75.54 110.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 32.3 mt-30 -114.84 -54.99 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 74.23 110.353 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.6 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 21.7 m-70 -117.76 80.39 13.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 74.54 109.635 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -31.45 6.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 74.04 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -90.0 29.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 72.21 110.416 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.07 148.21 49.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 75.02 109.29 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.493 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 16.4 mm -103.27 116.98 61.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 70.42 109.323 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.58 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.96 133.87 17.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.548 1.815 . . . . 60.01 111.031 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.54 155.09 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 72.13 109.243 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 108' ' ' PHE . 8.3 mm -123.43 98.76 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 73.34 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -88.36 113.88 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 71.31 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' OE1' ' CG2' ' A' ' 34' ' ' ILE . 73.0 mt-10 -124.84 157.46 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 73.35 110.34 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.43 142.3 50.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.24 110.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -64.88 138.78 58.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 72.52 110.977 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 ptmm? -56.72 100.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.55 109.297 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.86 17.96 11.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 74.45 110.979 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 43' ' ' GLN . 7.4 tp10 -103.56 109.18 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 74.3 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 -37.14 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 72.3 109.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 51.3 mt-30 -38.88 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 65.43 110.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 115' ' ' SER . 5.0 mt -57.87 150.71 47.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 74.32 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 167.48 26.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.469 1.773 . . . . 74.43 111.016 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -81.5 118.43 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 73.0 109.309 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.431 HD12 ' CB ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -42.57 144.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 72.3 109.295 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.423 ' N ' HD11 ' A' ' 47' ' ' LEU . 11.0 t0 -46.1 -44.48 15.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 70.44 109.245 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' CE ' ' HB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -149.19 -174.58 4.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 64.03 109.249 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.453 ' CG2' HG22 ' A' ' 34' ' ' ILE . 2.3 m -113.48 -25.78 8.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 64.23 110.429 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 7.9 mtmt -87.69 128.95 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.5 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CD2' HG22 ' B' ' 339' ' ' THR . 96.6 m-85 -140.53 130.32 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 72.04 111.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.6 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 2.5 mt -96.46 104.4 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 74.13 109.355 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 2.2 p -102.21 143.58 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 73.55 109.338 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 136.01 19.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 72.21 110.99 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -87.54 46.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.21 109.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 22.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 74.42 109.617 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.62 -166.21 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 73.11 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.7 147.64 37.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 71.01 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.493 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.2 ppp? -46.17 -25.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 75.42 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.474 ' CB ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -56.41 -54.83 41.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 60.52 110.019 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.26 -57.15 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 65.32 110.28 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 67' ' ' ILE . 1.1 tt -40.68 -42.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 75.35 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.75 -54.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.44 109.338 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -57.32 -19.26 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 65.21 109.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' B' ' 341' ' ' LEU . 2.8 mm -85.06 -39.42 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 73.3 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.601 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.7 mm -67.55 -52.88 36.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.11 109.261 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.4 -21.99 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 75.11 110.216 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -77.2 -29.15 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.23 110.253 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.431 ' CB ' HD12 ' A' ' 47' ' ' LEU . 7.5 mmm180 -77.23 -39.85 47.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 71.15 110.313 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . 9.0 mt -77.65 -6.59 54.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.177 . . . . 72.23 109.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 38.7 44.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 75.43 110.318 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 44' ' ' LEU . 11.6 mt -83.62 174.66 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 75.2 109.373 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -131.17 -171.65 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 74.2 109.324 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.69 78.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 64.32 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -60.81 -38.76 86.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 74.34 109.298 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.462 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 50.1 tp60 -93.77 138.02 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.3 110.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.25 135.11 46.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 75.3 109.279 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.601 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -136.25 133.42 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 75.54 110.959 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.4 m-85 -143.42 115.6 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 74.22 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -84.95 114.62 22.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 75.43 109.262 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -86.95 116.44 25.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.12 109.245 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 12.0 t -76.58 104.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 75.33 109.246 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.461 ' CB ' ' NE2' ' A' ' 86' ' ' HIS . 1.4 m-20 69.89 8.24 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 73.33 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.23 -2.38 26.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 75.13 111.048 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 3.3 p80 -119.17 127.02 52.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 0.813 . . . . 74.02 109.607 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.468 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.48 172.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 72.54 109.983 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -118.32 42.22 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 74.41 110.964 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -38.57 -31.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.21 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.5 m -121.43 103.44 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 61.44 109.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.493 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -107.31 88.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 75.24 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -126.84 17.55 7.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 74.42 110.077 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 19.2 m -127.53 144.88 52.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.01 110.358 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.04 138.66 23.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 74.22 110.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.4 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -47.23 -26.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.51 109.26 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 94' ' ' PRO . 95.9 p -61.49 -43.68 98.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.11 109.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -81.13 -55.85 4.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 74.43 110.324 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.9 t -41.69 -30.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 74.24 109.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.503 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 1.5 t80 -81.13 -47.36 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 73.42 110.956 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.34 -4.35 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 74.24 110.298 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -111.22 -11.24 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 63.15 110.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 103' ' ' ARG . 55.0 mm-40 -121.09 -57.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 75.1 110.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.1 ppt_? -37.55 152.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 74.0 110.27 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.31 -175.19 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 52.11 109.262 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 42.8 mt-10 -45.38 -46.6 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 74.25 110.308 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 107' ' ' GLY . 0.5 OUTLIER -39.96 -49.51 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.31 109.34 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 103.45 0.23 46.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 52.32 110.985 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.654 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -108.29 134.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 73.31 110.946 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' ILE . 3.4 mt -79.0 148.6 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 71.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.494 ' OH ' ' CD ' ' A' ' 16' ' ' ARG . 96.8 m-85 -125.56 112.18 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.44 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.449 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 15.9 mtt -127.42 148.39 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 71.41 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.4 t -126.83 115.89 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 74.1 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 5.4 p90 -100.42 156.31 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 73.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.462 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -176.17 178.28 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 72.12 109.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.53 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.4 t -90.63 32.33 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.34 110.046 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -149.87 123.06 8.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 70.45 110.338 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 6.0 tt0 -111.58 -7.59 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 74.01 110.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 62.51 110.423 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 74.41 109.307 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.654 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 4.8 m0 -69.01 -154.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 73.43 108.032 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -95.81 159.3 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 75.25 110.402 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 132.09 45.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 75.33 109.58 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.593 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.1 OUTLIER -100.14 85.72 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 73.23 109.252 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.0 120.1 32.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 63.13 109.985 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' B' ' 343' ' ' SER . 0.0 OUTLIER -86.67 13.75 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 65.44 109.983 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 -24.6 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 73.3 109.314 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -89.53 -0.47 57.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 61.52 110.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 3.0 m -82.85 167.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 74.23 109.33 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 64.45 109.253 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.49 0.186 . . . . 71.11 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.74 -29.3 66.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.23 110.29 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -82.46 -29.09 30.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 75.04 110.329 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' NE ' ' OH ' ' A' ' 110' ' ' TYR . 38.9 ttp180 -83.43 -23.66 32.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 74.24 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.82 -34.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 73.55 109.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 15.7 pt-20 -75.66 -42.9 50.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 74.55 110.383 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -50.47 -46.17 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.14 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -61.96 -44.72 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.15 109.348 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' N ' HG13 ' A' ' 20' ' ' VAL . 12.6 ttm180 -38.53 -46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 73.35 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.8 mt -61.1 -49.31 77.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.589 1.181 . . . . 71.15 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.518 HD13 ' CG ' ' B' ' 338' ' ' TRP . 1.2 tp -61.59 -22.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.141 . . . . 75.23 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -82.06 -37.11 26.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 74.04 110.381 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -88.16 -12.88 42.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.54 110.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 67.2 mt-30 -104.92 -51.21 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 74.23 110.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 10.5 m-70 -122.34 77.03 44.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.54 109.554 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.2 8.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.542 1.812 . . . . 74.04 110.998 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.4 p -90.54 25.67 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 72.21 110.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.47 149.8 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.02 109.227 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' A' ' 99' ' ' TYR . 16.0 mm -101.52 116.68 63.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 70.42 109.361 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.573 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.2 Cg_endo -74.99 139.36 24.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 60.01 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -143.82 159.44 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 72.13 109.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 108' ' ' PHE . 2.8 mm -136.78 95.81 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 73.34 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.3 mt -89.01 127.78 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 71.31 109.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -129.65 152.87 48.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 73.35 110.301 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -64.86 136.16 56.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 73.24 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.546 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 11.7 t80 -59.89 148.85 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 72.52 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.7 ptpp? -69.6 93.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 73.55 109.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.67 21.22 6.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 74.45 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -109.45 111.14 22.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 74.3 110.258 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 -31.04 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 72.3 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -42.65 -81.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 65.43 110.36 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.524 ' CD2' ' CD1' ' A' ' 73' ' ' LEU . 14.2 mt -55.91 143.03 62.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 74.32 109.26 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.01 27.99 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.532 1.806 . . . . 74.43 111.045 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.79 117.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 73.0 109.271 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.33 146.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.16 . . . . 72.3 109.248 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' N ' HD11 ' A' ' 47' ' ' LEU . 13.7 t0 -52.07 -45.91 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 70.44 109.245 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 175.68 9.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 64.03 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -108.47 -25.99 10.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 64.23 110.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 8.7 mtmm -97.79 132.16 43.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 74.5 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -139.69 138.07 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 72.04 111.008 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.547 HD22 ' CE3' ' B' ' 338' ' ' TRP . 7.6 mt -103.99 104.21 14.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 74.13 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.5 t -88.29 141.61 30.95 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 73.55 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 132.69 15.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 72.21 110.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -86.71 46.0 1.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 73.21 109.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CE1' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -148.8 19.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 74.42 109.555 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.482 HG12 ' CE1' ' A' ' 57' ' ' HIS . 33.0 m -137.09 -165.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 73.11 109.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.03 150.51 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 71.01 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.495 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.6 ppp? -46.13 -24.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.42 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.459 ' CB ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -58.05 -56.16 25.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 60.52 110.002 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 65' ' ' LYS . 21.8 mt-10 -42.05 -50.07 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 65.32 110.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' CD2' HG12 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -44.21 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 75.35 109.247 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.421 HD11 ' N ' ' A' ' 64' ' ' ILE . 5.8 mm -57.8 -41.51 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 73.44 109.302 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' GLU . 60.6 mtpt -67.06 -35.64 80.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 65.21 109.31 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' B' ' 342' ' ' SER . 13.6 mm -67.76 -38.88 81.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 73.3 109.346 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 19.8 mm -68.69 -69.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 74.11 109.27 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.11 110.345 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 67' ' ' ILE . 2.5 mmp_? -69.96 -49.72 48.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 73.23 110.24 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -58.36 -35.4 71.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.61 1.194 . . . . 71.15 110.327 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' GLN . 6.1 mt -82.36 -16.73 48.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 72.23 109.368 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' LEU . 19.6 pt20 38.6 47.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 75.43 110.283 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.524 ' CD1' ' CD2' ' A' ' 44' ' ' LEU . 4.4 mt -80.05 -179.98 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 75.2 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -120.31 -175.17 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 74.2 109.268 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -36.06 82.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 64.32 109.276 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.41 -39.5 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 74.34 109.328 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.442 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 35.4 tp60 -87.08 119.08 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.3 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.13 140.95 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.3 109.306 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -141.21 134.5 29.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 75.54 111.071 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.8 m-85 -142.98 129.29 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 74.22 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -94.58 118.63 31.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 75.43 109.279 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -95.41 117.03 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 74.12 109.292 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.599 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.6 t -86.27 112.24 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.33 109.256 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.1 m-20 69.24 11.77 8.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 73.33 109.309 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.56 6.53 50.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 75.13 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 20.3 p80 -127.47 130.01 48.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 74.02 109.604 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.446 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -57.36 172.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 72.54 110.014 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.439 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -120.54 42.24 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.077 . . . . 74.41 111.067 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.2 m -39.8 -30.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 72.21 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.4 m -117.74 104.46 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 61.44 109.964 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.495 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -108.43 87.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.14 . . . . 75.24 109.314 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.0 t -124.31 18.39 9.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.42 110.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 21.9 m -131.01 144.59 54.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 72.01 110.378 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.02 142.74 28.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.517 1.799 . . . . 74.22 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.444 ' CD1' HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -51.31 -22.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 74.51 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 p -68.2 -41.01 82.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.11 109.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 28.6 mm-40 -82.97 -53.57 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 74.43 110.242 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.1 t -42.85 -34.96 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 74.24 109.331 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.572 ' CD2' HD21 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.45 -39.35 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 73.42 111.025 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.9 pt-20 -78.05 -4.17 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.24 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.46 5.36 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 63.15 110.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ARG . 6.4 mm-40 -136.56 -53.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 75.1 110.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -35.66 152.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 74.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -108.67 -175.04 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 52.11 109.297 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -49.99 -29.82 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.25 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 72.31 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.28 36.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 52.32 111.041 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.79 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.7 OUTLIER -111.82 129.25 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 0.757 . . . . 73.31 111.076 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.49 135.66 37.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.458 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.5 m-85 -117.25 107.7 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 75.44 111.035 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.403 ' SD ' ' CG2' ' A' ' 83' ' ' VAL . 3.6 mtt -132.96 135.0 45.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 71.41 111.008 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.546 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.9 t -106.67 135.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 74.1 109.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 5.9 p90 -111.4 153.67 25.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 73.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.503 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -163.55 177.94 8.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 72.12 109.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 p -89.9 19.9 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.34 110.015 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -150.03 150.07 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 70.45 110.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 2.6 tt0 -123.97 -1.74 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 74.01 110.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 62.51 110.45 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.26 -0.644 . . . . 74.41 109.26 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.79 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 1.5 m0 -91.32 -152.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.43 107.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.32 160.03 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.25 110.373 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 125.37 53.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 75.33 109.581 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 7.4 mt -92.14 92.73 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 73.23 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -86.02 130.85 34.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.114 . . . . 63.13 109.945 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.19 5.92 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 65.44 109.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -98.82 -23.18 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 73.3 109.299 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -87.11 -0.64 56.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 61.52 110.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' A' ' 66' ' ' ILE . 3.7 m -76.52 -179.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 74.23 109.339 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 64.45 109.244 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.589 ' CE1' ' OD2' ' A' ' 106' ' ' ASP . 2.2 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.49 0.186 . . . . 71.11 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 32.5 mt-10 -55.64 -35.55 66.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 75.23 110.311 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.95 -41.48 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 75.04 110.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.631 ' NH1' ' CE1' ' A' ' 110' ' ' TYR . 59.4 mtm180 -66.44 -60.41 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 74.24 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 14' ' ' GLU . 3.7 p -48.21 -57.1 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 73.55 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -41.11 -28.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 74.55 110.356 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 3.7 t70 -74.53 -55.27 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 75.14 109.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.21 -42.69 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 74.15 109.291 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -45.09 -34.05 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 73.35 110.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 2.7 mt -64.37 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 71.15 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.572 HD11 ' CD1' ' B' ' 338' ' ' TRP . 1.2 mp -53.95 -24.55 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 75.23 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -32.34 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.04 110.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -13.16 18.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 75.54 110.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -97.77 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.23 110.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CG ' HD11 ' A' ' 53' ' ' LEU . 62.7 m-70 -118.22 79.72 14.98 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.54 109.588 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.52 12.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.477 1.777 . . . . 74.04 110.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -83.2 8.34 13.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 72.21 110.39 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -126.94 158.64 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 75.02 109.251 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.592 ' CG2' ' CD2' ' A' ' 99' ' ' TYR . 10.1 mm -107.04 120.61 47.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 70.42 109.322 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.48 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -75.05 127.28 10.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 60.01 110.956 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -132.43 156.12 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 72.13 109.312 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.537 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.3 mm -129.71 97.13 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.34 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.3 mt -91.76 132.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 71.31 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -140.53 140.18 35.18 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.571 1.169 . . . . 73.35 110.321 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.96 140.9 35.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 73.24 110.237 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -60.88 140.66 57.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 72.52 110.986 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.8 ptmt -57.86 95.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 73.55 109.234 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.03 18.18 7.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 74.45 111.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -86.14 116.03 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.797 . . . . 74.3 110.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 1.4 pptp? -119.25 -40.35 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 72.3 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.414 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 34.8 mt-30 -45.32 -84.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 65.43 110.286 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.565 ' CD2' ' CD1' ' A' ' 73' ' ' LEU . 6.6 mt -55.37 151.03 20.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.32 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.402 ' O ' ' OH ' ' A' ' 113' ' ' TYR . 18.3 Cg_endo -74.98 165.34 31.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 74.43 111.036 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.1 t -77.99 119.38 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 73.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.81 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 72.3 109.234 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -71.85 -38.18 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 70.44 109.316 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.446 ' CE ' ' HB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -130.12 -177.16 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 64.03 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.1 m -112.97 -33.9 5.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.073 . . . . 64.23 110.425 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.585 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.3 OUTLIER -113.77 147.27 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 74.5 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 51' ' ' LYS . 3.3 m-85 -140.22 146.42 38.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 72.04 110.967 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 27' ' ' HIS . 25.3 mt -100.93 103.14 14.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 74.13 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 p -92.52 142.53 25.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 73.55 109.288 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.425 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 18.3 Cg_endo -74.96 123.7 8.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.52 1.8 . . . . 72.21 111.025 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -77.62 56.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 73.21 109.273 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 7.5 p80 -159.23 29.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.42 109.638 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.9 m -145.9 -164.82 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 73.11 109.341 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.46 154.73 26.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 71.01 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.504 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.6 ppp? -52.75 -25.15 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 75.42 111.029 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.471 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -51.5 69.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 60.52 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LEU . 40.0 mm-40 -42.27 -57.36 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 65.32 110.363 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.433 HD13 ' CG1' ' A' ' 67' ' ' ILE . 3.5 tp -40.16 -47.56 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 75.35 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 64' ' ' ILE . 6.5 mm -51.13 -62.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 73.44 109.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 9.3 mtmm -52.97 -32.36 45.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 65.21 109.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.464 ' CG2' HD21 ' B' ' 341' ' ' LEU . 4.5 mt -73.24 -27.26 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.3 109.29 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.587 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 17.1 mm -80.69 -69.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.11 109.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.539 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -45.15 -25.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 75.11 110.372 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.11 -40.48 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 73.23 110.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.61 -45.32 75.8 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.459 1.099 . . . . 71.15 110.357 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' GLN . 4.6 mt -68.8 -8.58 44.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 72.23 109.227 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.0 pt20 39.07 56.01 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 75.43 110.283 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.565 ' CD1' ' CD2' ' A' ' 44' ' ' LEU . 6.7 mt -88.43 -179.4 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 75.2 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -117.02 -174.99 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 74.2 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.61 58.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 64.32 109.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -81.34 -16.99 50.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.199 . . . . 74.34 109.329 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.446 ' CG ' HD21 ' A' ' 44' ' ' LEU . 35.0 tp60 -98.86 117.39 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 75.3 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.32 130.0 34.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.3 109.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -134.06 135.5 43.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 75.54 111.013 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.487 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 20.0 m-85 -143.3 123.82 14.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 74.22 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -90.0 110.09 21.09 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.468 1.105 . . . . 75.43 109.309 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 2.3 mm? -83.89 112.93 20.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.12 109.231 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.6 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 24.9 t -83.11 109.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 75.33 109.296 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.7 m-20 67.4 15.76 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.061 . . . . 73.33 109.354 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.67 7.25 55.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 75.13 111.023 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 22.9 p80 -128.03 127.7 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 74.02 109.566 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.447 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.7 p -57.71 172.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 72.54 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.456 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -120.92 42.17 3.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 74.41 111.022 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.2 m -39.5 -30.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 72.21 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 t -121.09 106.16 11.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 61.44 110.011 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.504 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -107.78 93.91 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 75.24 109.295 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.08 14.72 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 74.42 110.008 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 87.7 m -127.26 143.46 47.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 72.01 110.398 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.02 140.13 25.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 74.22 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.99 -29.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 74.51 109.379 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 t -59.96 -40.54 89.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 73.11 110.007 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLU . 81.1 mt-10 -84.27 -53.12 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 74.43 110.23 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 7.2 t -42.65 -34.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 74.24 109.339 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.592 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -78.47 -41.1 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 73.42 111.024 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.3 pt-20 -77.3 -4.18 43.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.24 110.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.39 5.33 14.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.15 110.0 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 4.2 mm-40 -134.61 -53.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 75.1 110.338 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -36.4 153.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 74.0 110.289 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -114.55 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 52.11 109.318 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 88.1 mt-10 -42.49 -53.58 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 74.25 110.26 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.589 ' OD2' ' CE1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -40.3 -52.04 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 72.31 109.27 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.418 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . 100.63 31.28 5.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 52.32 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -130.73 133.65 46.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 73.31 110.959 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.574 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.19 136.33 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.631 ' CE1' ' NH1' ' A' ' 16' ' ' ARG . 90.6 m-85 -122.78 107.61 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.44 110.928 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.9 mtt -132.36 147.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 71.41 110.941 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.536 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.7 t -116.31 145.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 74.1 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.558 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 1.6 p90 -120.49 157.9 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.471 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -177.8 177.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 72.12 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.467 ' CA ' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -92.65 29.82 1.68 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 63.34 110.029 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -149.74 131.13 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 70.45 110.37 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.487 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 3.4 tt0 -114.44 -9.9 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 74.01 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 62.51 110.427 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.247 -0.649 . . . . 74.41 109.247 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.746 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -61.81 -154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 73.43 107.977 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 3.2 t -95.1 145.34 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.25 110.349 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 123.74 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.33 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.464 HD21 ' CG2' ' A' ' 66' ' ' ILE . 9.7 mt -90.77 121.84 32.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 73.23 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.55 128.32 55.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 63.13 109.983 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.5 12.84 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 65.44 109.995 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -26.61 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 73.3 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.27 -0.51 41.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 61.52 110.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.72 159.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 74.23 109.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 64.45 109.377 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.485 0.183 . . . . 71.11 111.045 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -44.98 -39.89 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 75.23 110.314 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.18 -58.24 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 75.04 110.286 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -48.66 -38.04 20.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 74.24 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 106' ' ' ASP . 97.5 t -75.06 -38.37 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.55 109.343 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -58.34 -48.26 81.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.55 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD2' ' CD ' ' A' ' 51' ' ' LYS . 9.7 t70 -60.41 -40.03 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 75.14 109.328 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.541 HG23 ' CD2' ' A' ' 108' ' ' PHE . 14.2 t -56.75 -32.45 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 74.15 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -61.39 -50.16 74.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 73.35 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -55.33 -56.51 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 71.15 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.56 HD13 ' CD1' ' B' ' 338' ' ' TRP . 1.1 tp -60.37 -30.34 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 75.23 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -69.1 -33.06 72.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.04 110.304 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.44 -4.94 27.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.54 110.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' LEU . 31.0 mt-30 -106.47 -62.32 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 74.23 110.32 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CG ' HD13 ' A' ' 53' ' ' LEU . 26.8 m-70 -117.82 80.12 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.54 109.558 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.05 8.67 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 74.04 110.993 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -89.85 26.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 72.21 110.415 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -133.05 147.37 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 75.02 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.495 HG23 ' CD1' ' A' ' 99' ' ' TYR . 38.9 mm -94.94 113.73 61.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 70.42 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 60.01 110.993 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.62 151.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 72.13 109.322 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.54 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.2 mm -124.01 95.57 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 73.34 109.284 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 mt -96.2 121.95 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 71.31 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.508 ' OE1' ' CG2' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -124.11 179.95 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.35 110.33 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -83.06 140.62 32.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 73.24 110.282 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 22.9 t80 -63.75 154.07 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 72.52 110.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 23.1 mtmm -75.87 95.02 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 73.55 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.51 21.02 6.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 74.45 110.979 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 5.3 tm-20 -116.76 103.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 74.3 110.33 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 -18.87 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.3 109.347 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -49.33 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 65.43 110.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.6 mt -54.67 151.96 13.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.32 109.366 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.401 ' O ' ' OH ' ' A' ' 113' ' ' TYR . 18.2 Cg_endo -74.94 165.54 31.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.536 1.809 . . . . 74.43 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.8 t -76.56 117.18 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 73.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.26 145.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 72.3 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.418 ' N ' HD11 ' A' ' 47' ' ' LEU . 6.0 t0 -49.61 -46.63 49.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 70.44 109.31 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.412 ' CD ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -138.17 -173.74 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 64.03 109.299 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 m -115.8 -34.1 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 64.23 110.342 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.511 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 17.1 mtmm -93.94 127.09 39.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 74.5 109.337 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -132.38 134.02 44.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 72.04 110.966 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.573 HD22 ' CE3' ' B' ' 338' ' ' TRP . 17.9 mt -99.22 104.14 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 74.13 109.362 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.5 t -85.1 141.44 37.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 73.55 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.11 121.98 6.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 72.21 111.034 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -76.91 57.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 73.21 109.299 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 55' ' ' PRO . 13.8 p80 -161.19 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 74.42 109.573 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.404 HG13 ' ND1' ' A' ' 57' ' ' HIS . 13.5 m -148.69 -160.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 73.11 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.7 159.69 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 71.01 109.299 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.491 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.5 ppp? -55.74 -23.23 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 75.42 110.961 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -59.16 -55.35 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 60.52 109.983 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 23.1 mt-10 -43.09 -52.4 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 65.32 110.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' CD2' HG12 ' A' ' 67' ' ' ILE . 0.8 OUTLIER -41.8 -44.31 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 75.35 109.356 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mm -54.7 -52.09 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 73.44 109.249 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -60.07 -33.58 72.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 65.21 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' B' ' 342' ' ' SER . 2.8 mm -67.42 -38.09 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 73.3 109.373 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.572 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 13.8 mm -70.37 -68.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 74.11 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 9.3 ptm180 -38.94 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 75.11 110.331 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmp_? -67.92 -51.24 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 73.23 110.265 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -62.31 -23.28 66.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 71.15 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' A' ' 72' ' ' GLN . 28.4 mt -92.37 -3.75 54.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 72.23 109.299 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.536 ' C ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER 27.51 47.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 75.43 110.308 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 71' ' ' LEU . 2.0 mt -79.58 -173.67 3.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 75.2 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -130.34 177.05 7.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 74.2 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.6 -19.56 65.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 64.32 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -76.88 -33.66 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 74.34 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -93.69 112.58 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.3 110.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.74 137.12 36.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 75.3 109.259 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -138.14 134.74 34.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 75.54 110.992 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 20.3 m-85 -143.31 132.02 22.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 74.22 111.041 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.45 109.61 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 75.43 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 2.7 mm? -84.84 104.98 15.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 74.12 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.623 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 29.6 t -77.09 111.1 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 75.33 109.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.8 OUTLIER 65.55 10.88 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 73.33 109.301 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.51 11.19 36.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 75.13 111.071 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.9 p80 -130.39 135.96 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 74.02 109.572 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.412 ' N ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -58.13 171.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.54 109.988 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.407 ' SD ' ' C ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -131.73 31.97 4.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 74.41 110.995 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.33 -16.22 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 72.21 109.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' SER . 1.5 m -104.99 22.62 14.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 61.44 109.928 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.491 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.98 97.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 75.24 109.342 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.7 m -131.6 11.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 74.42 109.972 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 30.2 m -129.35 144.51 53.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 72.01 110.456 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 139.07 24.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 74.22 111.022 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.464 ' CD1' HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -46.66 -28.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 74.51 109.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.4 p -62.37 -43.67 98.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 73.11 110.0 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 35.8 mt-10 -79.58 -55.34 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 74.43 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.469 HG21 ' CG2' ' A' ' 93' ' ' THR . 22.4 t -43.0 -29.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.24 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.566 ' CD1' HD23 ' A' ' 109' ' ' LEU . 37.6 t80 -72.84 -48.75 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 73.42 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 3.0 pt-20 -81.28 -3.67 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 74.24 110.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -110.97 1.83 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 63.15 109.96 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 66.0 mm-40 -132.94 -49.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 75.1 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.91 156.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 74.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.34 -175.2 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 52.11 109.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -48.32 -27.56 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 74.25 110.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 1.5 p30 -67.09 -45.87 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 72.31 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . 101.04 6.8 51.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 52.32 111.013 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.776 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -107.62 133.05 52.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.806 . . . . 73.31 111.026 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.17 144.97 35.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 71.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.1 m-85 -131.21 122.43 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.44 110.993 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.7 mtt -145.05 145.73 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 71.41 111.019 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 7.1 t -113.38 141.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 74.1 109.266 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 1.4 p90 -119.5 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.456 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.51 178.58 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.12 109.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.488 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.6 t -89.94 23.64 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 63.34 110.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.9 tp60 -150.02 142.66 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 70.45 110.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 3.8 tt0 -122.0 -3.19 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 74.01 110.32 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 67.4 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 62.51 110.363 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.309 -0.626 . . . . 74.41 109.309 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.776 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 2.3 m0 -88.15 -152.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.546 1.154 . . . . 73.43 107.978 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 4.9 m -89.8 156.52 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 75.25 110.442 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 112.04 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 75.33 109.633 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 66' ' ' ILE . 3.7 mt -92.53 109.56 20.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 73.23 109.246 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 9.2 m -117.42 146.43 43.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 63.13 109.976 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.424 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -89.03 6.26 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 65.44 110.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.418 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -102.49 -20.46 14.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 73.3 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -94.84 -0.56 53.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 61.52 110.269 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.428 ' CG1' ' CD1' ' A' ' 66' ' ' ILE . 9.8 m -76.88 -172.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 74.23 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . 0.425 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 5.6 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 64.45 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.5 t80 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.452 0.168 . . . . 71.11 110.996 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -19.26 63.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 75.23 110.251 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -90.32 -40.64 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 75.04 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.646 ' NH2' ' CE1' ' A' ' 110' ' ' TYR . 28.3 mmm-85 -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 74.24 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.403 ' CG2' ' HA ' ' A' ' 106' ' ' ASP . 49.3 t -73.91 -48.1 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 73.55 109.357 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 39.4 tt0 -62.84 -51.64 66.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 74.55 110.251 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -44.54 -36.44 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 75.14 109.287 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.511 HG21 ' CE2' ' A' ' 108' ' ' PHE . 2.7 t -69.87 -44.3 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 74.15 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 41.8 ttt180 -38.88 -42.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 73.35 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -58.69 -67.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 71.15 109.208 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.532 HD11 ' CD1' ' B' ' 338' ' ' TRP . 1.1 tp -50.49 -24.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 75.23 109.315 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -34.93 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 74.04 110.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.8 -4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 75.54 110.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' LEU . 50.9 mt-30 -110.63 -57.22 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 74.23 110.337 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.526 ' CD2' HD12 ' A' ' 23' ' ' ILE . 9.8 m-70 -117.13 80.98 12.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 74.54 109.622 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.88 5.92 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.477 1.777 . . . . 74.04 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 p -90.27 28.86 1.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 72.21 110.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -135.11 144.76 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 75.02 109.226 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 10.4 mm -100.83 116.15 64.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 70.42 109.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 17.9 Cg_endo -75.05 139.48 24.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 60.01 110.938 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.86 160.73 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 72.13 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.505 ' CG1' ' CD1' ' A' ' 108' ' ' PHE . 6.5 mm -134.9 96.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 73.34 109.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.455 ' CD1' HD21 ' A' ' 63' ' ' LEU . 6.7 mt -95.42 131.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 71.31 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 3.9 mp0 -132.48 167.63 19.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 73.35 110.263 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 -75.62 133.47 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.24 110.251 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.89 140.88 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 72.52 111.023 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.588 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.1 ptmt -56.62 97.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 73.55 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.37 15.63 9.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 74.45 111.028 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 114' ' ' ALA . 2.1 tm-20 -93.72 108.96 20.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 74.3 110.292 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.97 -39.75 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 72.3 109.319 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.411 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 30.6 mm-40 -44.71 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 65.43 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 HD21 ' NE2' ' A' ' 77' ' ' GLN . 1.6 mt -54.97 148.2 29.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 74.32 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 168.43 24.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 74.43 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 t -83.59 121.8 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 73.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.443 HD22 ' CG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -45.65 150.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 72.3 109.296 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.11 -33.92 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 70.44 109.251 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 -176.07 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 64.03 109.328 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 35' ' ' ILE . 2.8 m -111.34 -40.24 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 64.23 110.381 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.518 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 12.0 mtmm -71.81 127.01 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 74.5 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.428 ' CD2' HD11 ' A' ' 35' ' ' ILE . 68.8 m-85 -138.96 128.36 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 72.04 111.02 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.521 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 1.7 mt -94.85 104.19 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.539 1.149 . . . . 74.13 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.4 t -93.22 141.64 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 73.55 109.328 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.96 137.62 22.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 72.21 111.014 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.6 p-10 -88.79 43.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 73.21 109.234 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.535 ' CE1' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.99 17.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.394 1.059 . . . . 74.42 109.554 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.535 ' CG1' ' CE1' ' A' ' 57' ' ' HIS . 19.8 m -136.34 -163.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 73.11 109.288 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -113.56 166.11 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 71.01 109.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.498 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 3.0 ppp? -58.63 -31.18 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 75.42 111.033 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.47 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 1.1 t -54.25 -50.69 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 60.52 109.971 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.5 mm-40 -42.01 -53.87 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 65.32 110.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -39.41 -52.79 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 75.35 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 3.2 mt -57.96 -56.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 73.44 109.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 39.7 mtpt -45.35 -26.44 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 65.21 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' B' ' 341' ' ' LEU . 2.8 mm -84.34 -49.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 73.3 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.563 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 19.8 mm -45.9 -68.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 74.11 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -45.55 -45.71 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 75.11 110.267 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' NH2' ' CB ' ' B' ' 347' ' ' ASP . 3.9 mpt_? -55.45 -35.17 65.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 73.23 110.313 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -48.49 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 71.15 110.222 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 81.8 mt -69.33 -8.61 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.23 109.267 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.2 pt20 45.74 49.73 11.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 75.43 110.307 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.53 167.86 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 75.2 109.344 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -78.2 175.03 10.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 74.2 109.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.06 -1.17 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 64.32 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -111.7 -32.57 6.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 74.34 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.504 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -45.67 145.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.3 110.271 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.504 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -114.03 133.88 55.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 75.3 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -150.71 145.02 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.54 110.973 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.486 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 77.0 m-85 -143.85 123.05 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.22 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 75.43 109.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -91.66 117.07 29.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.12 109.309 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.507 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 3.7 t -84.67 105.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 75.33 109.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.76 15.31 3.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 73.33 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.17 1.79 58.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.571 1.17 . . . . 75.13 110.964 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.507 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.2 p80 -122.61 137.11 55.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.778 . . . . 74.02 109.654 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.409 ' N ' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -57.39 172.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 72.54 109.992 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.407 ' SD ' ' C ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.36 29.28 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 74.41 111.008 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.515 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.4 p -50.79 128.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 72.21 109.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 2.0 m 86.36 18.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 61.44 109.994 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.498 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -37.95 102.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 75.24 109.267 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -138.26 22.2 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 74.42 110.018 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 8.4 m -128.8 145.32 55.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 72.01 110.408 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.0 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 74.22 111.03 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.62 -22.77 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 74.51 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.464 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 15.6 p -67.39 -39.44 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 73.11 109.934 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' SER . 44.8 mt-10 -85.64 -53.4 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 74.43 110.233 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.2 t -42.86 -32.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 74.24 109.274 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 5.5 t80 -78.73 -50.33 11.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.42 110.965 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.66 -4.73 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.24 110.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 m -109.56 -5.93 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 63.15 109.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' ARG . 33.9 mm-40 -127.44 -59.25 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 75.1 110.279 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 1.7 ppt_? -38.47 155.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 74.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.14 -177.22 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 52.11 109.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -50.19 -23.18 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.25 110.254 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.557 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -59.65 -47.23 86.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 72.31 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 99.46 13.07 39.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 52.32 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.2 OUTLIER -120.31 128.67 53.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 73.31 111.012 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 mt -80.7 143.35 33.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 71.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.646 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 97.1 m-85 -121.27 107.7 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 75.44 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.451 ' HE1' ' CD1' ' A' ' 63' ' ' LEU . 5.5 mtt -128.69 138.91 52.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 71.41 111.04 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.9 t -114.86 121.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 74.1 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 2.5 p90 -105.26 154.96 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 73.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.443 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . . . -176.82 178.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 72.12 109.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 t -87.73 34.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 63.34 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.46 ' OE1' ' CZ ' ' A' ' 38' ' ' TYR . 2.9 pt20 -150.36 124.95 9.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 70.45 110.338 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 9.8 tt0 -107.86 -7.05 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 74.01 110.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 62.51 110.359 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.292 -0.633 . . . . 74.41 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.746 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 7.1 m0 -71.79 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.01 -1.108 . . . . 73.43 108.01 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 1.3 m -91.27 155.31 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 75.25 110.389 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 126.95 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 75.33 109.636 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.592 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.2 OUTLIER -97.8 84.24 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 73.23 109.308 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.454 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.8 OUTLIER -89.6 123.49 33.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 63.13 109.945 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.402 ' O ' ' OG ' ' B' ' 343' ' ' SER . 0.0 OUTLIER -86.26 12.6 9.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 65.44 110.0 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.454 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -98.19 -32.09 11.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 73.3 109.313 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.84 -0.72 44.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 61.52 110.269 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 66' ' ' ILE . 2.7 m -86.51 -165.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 74.23 109.386 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . 0.423 ' CB ' ' NH2' ' A' ' 69' ' ' ARG . 2.9 t0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 64.45 109.296 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.9 t80 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.522 0.201 . . . . 71.11 111.04 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 25.9 mt-10 -69.41 -12.87 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 75.23 110.273 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -84.86 -50.16 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 75.04 110.301 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -48.64 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.24 110.347 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 106' ' ' ASP . 8.4 p -60.49 -23.6 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 73.55 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -85.74 -17.79 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 74.55 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 6.6 t0 -81.72 -45.52 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 75.14 109.285 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.57 HG13 ' CD2' ' A' ' 108' ' ' PHE . 35.3 m -58.46 -50.21 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 74.15 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' VAL . 33.1 ttt180 -35.4 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 73.35 110.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 1.8 mt -64.73 -58.09 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 71.15 109.272 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.57 HD12 ' CD1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -61.77 -22.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 75.23 109.33 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -70.25 -28.0 64.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.04 110.27 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.97 -25.79 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.54 110.367 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.58 -54.81 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.23 110.3 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 19.0 m-70 -117.22 79.84 11.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.54 109.616 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.72 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 74.04 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 p -88.76 30.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 72.21 110.338 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -137.95 156.3 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 75.02 109.225 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' A' ' 99' ' ' TYR . 9.6 mm -109.42 117.79 52.18 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 70.42 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -74.98 135.26 18.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 60.01 110.977 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.63 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 72.13 109.257 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.1 mm -124.75 95.75 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 73.34 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 mt -95.45 121.51 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 71.31 109.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 113' ' ' TYR . 1.5 mp0 -129.28 179.07 5.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 73.35 110.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -87.22 139.36 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 73.24 110.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.14 143.1 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 72.52 111.016 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 14.3 ptmt -55.65 91.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 73.55 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' TYR . . . 112.7 21.58 6.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 74.45 110.99 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -87.15 108.59 18.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 74.3 110.275 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -112.41 -31.11 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 72.3 109.256 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -53.58 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 65.43 110.389 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' HD21 ' A' ' 73' ' ' LEU . 2.0 mm? -56.21 145.31 57.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 74.32 109.302 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 175.48 11.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 74.43 110.949 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -76.19 109.55 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.0 109.251 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.46 146.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 72.3 109.276 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.404 ' N ' HD13 ' A' ' 47' ' ' LEU . 4.0 m-20 -42.29 -35.27 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 70.44 109.229 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.52 -166.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 64.03 109.33 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' ' HG3' ' A' ' 36' ' ' GLU . 4.2 m -113.15 -22.09 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.23 110.407 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 5.1 mtmm -95.77 128.86 43.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 74.5 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' B' ' 339' ' ' THR . 84.3 m-85 -140.37 133.58 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 72.04 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.585 HD23 ' CE3' ' B' ' 338' ' ' TRP . 5.9 mt -98.01 103.29 15.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 74.13 109.326 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.507 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.1 t -90.07 142.39 28.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 73.55 109.26 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 127.75 10.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 72.21 110.93 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -78.12 1.88 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 73.21 109.386 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CD2' ' CG1' ' A' ' 58' ' ' VAL . 8.9 p-80 -95.57 -11.64 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 74.42 109.586 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 55' ' ' PRO . 1.6 m -112.83 -173.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 73.11 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.421 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -109.19 172.48 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.01 109.274 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.49 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.4 ppp? -61.45 -25.72 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 75.42 111.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.467 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -57.19 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 60.52 110.04 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 4.8 mt-10 -42.06 -52.39 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 65.32 110.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.413 ' CD1' HG12 ' A' ' 67' ' ' ILE . 3.0 tp -42.81 -42.65 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 75.35 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.07 -58.42 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 73.44 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 45.6 mttt -54.81 -36.42 64.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 65.21 109.36 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' B' ' 342' ' ' SER . 12.7 mt -69.5 -32.38 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 73.3 109.252 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.3 mm -73.36 -67.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 74.11 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.567 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 25.6 ptt180 -41.78 -42.07 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 75.11 110.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.413 ' NE ' ' HB2' ' B' ' 347' ' ' ASP . 0.1 OUTLIER -61.24 -42.62 98.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 73.23 110.268 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -61.79 -41.15 97.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 71.15 110.28 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.1 mt -73.53 -13.91 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 72.23 109.31 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 40.39 49.49 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 75.43 110.288 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 44' ' ' LEU . 1.2 mt -84.25 -176.25 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 75.2 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -117.0 -174.87 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 74.2 109.304 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.96 60.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 64.32 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -74.84 -28.32 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 74.34 109.333 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.514 HE21 ' N ' ' A' ' 78' ' ' ALA . 29.5 tp60 -92.6 118.98 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.3 110.251 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.514 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -88.81 137.8 31.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 75.3 109.291 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -135.71 133.31 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.54 111.033 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.494 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.8 m-85 -143.35 125.12 15.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 74.22 110.998 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -91.58 115.1 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 75.43 109.273 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.1 mm? -90.29 106.99 18.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.12 109.344 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.592 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 3.1 t -77.7 111.32 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 75.33 109.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 67.2 9.76 7.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 73.33 109.256 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 10.45 37.36 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.472 1.108 . . . . 75.13 111.001 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 23.6 p80 -130.62 139.64 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 74.02 109.591 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.453 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.0 OUTLIER -58.05 172.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 72.54 110.032 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -130.83 30.41 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 74.41 110.991 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.458 ' CG2' ' OE1' ' A' ' 117' ' ' GLU . 89.7 t -56.15 -18.5 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 72.21 109.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' SER . 32.5 t -104.72 27.12 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 61.44 110.041 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.49 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -45.61 94.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 75.24 109.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.3 OUTLIER -129.37 9.1 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.42 110.003 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 15.8 m -124.8 145.23 49.13 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 72.01 110.44 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 140.91 26.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.759 . . . . 74.22 111.046 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.472 ' CD1' HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -49.89 -22.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.51 109.364 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' OD1' ' A' ' 56' ' ' ASP . 61.8 p -68.82 -39.96 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 73.11 109.976 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 101' ' ' SER . 20.6 mm-40 -86.4 -53.46 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 74.43 110.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.45 HG22 ' CG2' ' A' ' 93' ' ' THR . 3.3 t -41.9 -29.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 74.24 109.256 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CD1' HG23 ' A' ' 31' ' ' ILE . 30.3 t80 -76.58 -57.66 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.42 110.975 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -70.71 -4.36 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.24 110.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -108.73 -5.0 16.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 63.15 109.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' ARG . 7.3 mm-40 -130.25 -58.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 75.1 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.62 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 74.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.448 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -92.82 169.39 10.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 52.11 109.282 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -44.2 -41.33 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.427 1.079 . . . . 74.25 110.246 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.542 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 18.7 p-10 -40.65 -44.67 2.2 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 72.31 109.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.492 ' O ' ' CG1' ' A' ' 20' ' ' VAL . . . 100.67 44.1 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 52.32 110.943 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -149.81 131.87 15.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.782 . . . . 73.31 110.997 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.443 ' CD1' ' HE2' ' A' ' 111' ' ' MET . 2.3 mt -79.49 148.71 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 71.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -135.05 106.8 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 75.44 110.991 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.443 ' HE2' ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -128.39 144.01 51.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 71.41 110.977 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.521 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -109.59 135.62 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 74.1 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 1.6 p90 -113.98 142.49 46.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 73.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.51 178.44 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 72.12 109.247 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.452 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -90.48 30.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 63.34 110.023 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -149.24 137.71 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 70.45 110.307 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 2.4 tt0 -119.39 -7.02 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 74.01 110.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.3 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 62.51 110.403 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . 0.423 ' OD2' ' N ' ' B' ' 337' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.288 -0.634 . . . . 74.41 109.288 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.789 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -96.63 -154.39 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.43 108.024 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -91.01 155.17 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.25 110.418 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 126.56 51.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 75.33 109.57 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 4.7 mt -107.43 106.0 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.23 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 25.7 m -109.32 164.06 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 63.13 109.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.485 ' O ' ' CG2' ' B' ' 346' ' ' VAL . 2.9 p -90.98 -8.52 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 65.44 110.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.471 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.9 -22.66 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 73.3 109.249 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -85.75 -6.42 59.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 61.52 110.286 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' B' ' 343' ' ' SER . 17.2 m -63.5 -175.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 74.23 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . 0.413 ' HB2' ' NE ' ' A' ' 69' ' ' ARG . 7.7 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 64.45 109.331 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.486 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.515 0.198 . . . . 71.11 111.053 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -52.14 -21.07 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 75.23 110.313 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -85.28 -28.88 25.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 75.04 110.312 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.66 ' NH2' ' CE1' ' A' ' 110' ' ' TYR . 7.4 ttt180 -89.28 -21.61 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 74.24 110.341 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.1 m -75.63 -37.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 73.55 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -52.91 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 74.55 110.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.81 -53.12 6.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 75.14 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.558 HG22 ' CE2' ' A' ' 108' ' ' PHE . 2.3 t -47.34 -45.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 74.15 109.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -44.36 -38.24 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 73.35 110.334 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.0 mt -71.4 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 71.15 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.555 ' HB ' ' CZ2' ' B' ' 338' ' ' TRP . 1.1 tp -48.99 -25.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 75.23 109.252 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -77.3 -35.93 54.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 74.04 110.262 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -89.83 -12.06 40.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 75.54 110.344 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 47.6 mt-30 -108.95 -20.59 12.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 74.23 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 35.3 m-70 -158.92 74.07 3.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.54 109.587 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -28.47 9.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.566 1.824 . . . . 74.04 111.015 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -89.31 20.4 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.21 110.378 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -127.57 148.28 50.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 75.02 109.37 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.566 HG21 ' CD2' ' A' ' 99' ' ' TYR . 17.8 mm -97.95 114.92 65.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 70.42 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.579 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -74.99 137.48 21.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 60.01 110.982 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.04 161.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 72.13 109.352 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.544 ' CG2' ' NH2' ' A' ' 16' ' ' ARG . 5.3 mm -135.11 95.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 73.34 109.329 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.9 126.37 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 71.31 109.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -123.4 173.1 8.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 73.35 110.27 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -83.55 133.24 34.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.24 110.251 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -57.62 137.88 55.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 72.52 110.985 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 15.1 ptmt -60.04 96.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 73.55 109.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.07 19.61 8.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 74.45 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 8.6 tp10 -111.67 105.18 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 74.3 110.232 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -33.85 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 72.3 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -38.69 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 65.43 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 115' ' ' SER . 5.8 mt -54.79 151.7 14.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.32 109.328 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 74.43 111.068 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.5 113.85 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 73.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.4 HD13 ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.52 146.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 72.3 109.315 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 9.1 t0 -47.94 -37.68 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 70.44 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -154.54 -175.28 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 64.03 109.291 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 m -114.09 -16.82 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 64.23 110.384 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 16.1 mtmm -102.73 131.26 49.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.5 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -140.5 143.3 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 72.04 110.976 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.586 HD21 ' CE3' ' B' ' 338' ' ' TRP . 9.9 mt -106.54 104.59 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 74.13 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.7 t -87.36 141.1 32.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 73.55 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.519 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 18.5 Cg_endo -75.0 128.85 11.81 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.415 1.745 . . . . 72.21 111.019 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -83.4 51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 73.21 109.321 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.4 p80 -155.95 25.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 74.42 109.655 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.25 -159.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 73.11 109.342 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -122.55 152.15 40.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 71.01 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.494 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.4 ppp? -43.64 -25.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.42 110.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.473 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.64 -56.94 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 60.52 110.026 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -41.99 -49.23 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 65.32 110.293 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.467 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -44.11 -47.07 8.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 75.35 109.312 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.446 HD11 ' N ' ' A' ' 64' ' ' ILE . 4.9 mm -60.92 -50.29 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 73.44 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -49.67 -38.08 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 65.21 109.301 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.464 ' CG2' HD13 ' B' ' 341' ' ' LEU . 2.7 mm -71.36 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 73.3 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.697 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 20.6 mm -41.7 -68.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.11 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.563 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 11.3 ptm180 -43.99 -44.15 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 75.11 110.362 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HG3' ' CB ' ' B' ' 346' ' ' VAL . 0.8 OUTLIER -61.27 -35.86 78.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 73.23 110.235 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.2 mmp_? -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 71.15 110.277 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.46 -13.71 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.23 109.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 41.14 45.14 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 75.43 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 77' ' ' GLN . 4.6 mt -77.0 -176.09 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 75.2 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.96 -174.94 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 74.2 109.26 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.92 58.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 64.32 109.316 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.13 -24.62 24.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 74.34 109.294 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.524 HE21 ' N ' ' A' ' 78' ' ' ALA . 30.6 tp60 -87.74 120.6 29.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 75.3 110.404 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.524 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -88.41 139.41 30.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 75.3 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.697 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.1 t80 -139.94 134.63 31.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 75.54 111.02 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.5 m-85 -143.38 128.74 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 74.22 111.026 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -94.03 109.62 21.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 75.43 109.253 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 2.8 mm? -84.07 111.84 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 74.12 109.3 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.604 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 18.3 t -81.42 111.66 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 75.33 109.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.36 11.25 7.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.33 109.351 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.39 8.02 41.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 75.13 110.946 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.604 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.4 p80 -128.42 130.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 0.806 . . . . 74.02 109.581 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.44 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -57.62 172.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 72.54 110.001 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.446 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -121.97 39.59 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 74.41 110.99 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' MET . 20.9 t -39.53 -30.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 72.21 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' MET . 11.8 p -116.15 102.45 9.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 61.44 110.08 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.494 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -106.91 88.46 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 75.24 109.266 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -125.94 14.34 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.42 110.047 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 27.9 m -124.66 144.33 46.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 72.01 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.94 141.18 26.51 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.528 1.804 . . . . 74.22 111.04 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.466 ' CD1' HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -51.68 -22.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 74.51 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -69.26 -37.9 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 73.11 109.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' GLU . 29.8 mm-40 -86.54 -51.99 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 74.43 110.23 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.7 t -44.88 -34.73 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 74.24 109.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.569 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -81.19 -34.07 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.42 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 pt-20 -79.04 -3.98 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 74.24 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -116.74 1.78 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 63.15 109.925 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 103' ' ' ARG . 5.7 mm-40 -130.24 -50.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 75.1 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.5 ppt_? -36.67 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 74.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.73 -175.68 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 52.11 109.267 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -39.53 -56.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 74.25 110.318 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -47.14 -46.45 23.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.31 109.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 100.69 21.76 12.07 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.54 1.15 . . . . 52.32 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.711 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -111.0 131.03 55.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 0.827 . . . . 73.31 111.047 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.74 133.54 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 71.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 91.8 m-85 -114.86 107.26 15.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 75.44 111.041 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.7 mtt -134.64 146.29 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 71.41 110.981 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.514 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.8 t -115.06 142.82 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 74.1 109.318 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 1.5 p90 -115.97 152.78 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 73.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.95 178.05 9.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 72.12 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.536 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 27.5 t -92.13 20.23 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 63.34 109.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -150.23 150.2 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 70.45 110.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.57 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 2.6 tt0 -124.33 -1.66 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 74.01 110.321 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.4 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 62.51 110.322 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . 0.401 ' N ' ' OD2' ' B' ' 337' ' ' ASP . 13.3 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 74.41 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.711 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 19.3 m0 -68.24 -77.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.43 107.966 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.515 ' CG2' ' CD2' ' B' ' 341' ' ' LEU . 0.6 OUTLIER -160.66 -177.22 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 75.25 110.402 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.45 113.98 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 75.33 109.552 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.1 OUTLIER -86.56 85.99 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 73.23 109.342 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.447 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -91.41 124.19 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 63.13 110.018 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 1.3 p -82.02 0.03 42.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 65.44 109.997 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.1 -35.47 20.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 73.3 109.246 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.69 -4.09 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 61.52 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.455 ' CB ' ' HG3' ' A' ' 69' ' ' ARG . 2.7 m -99.63 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 74.23 109.339 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 64.45 109.362 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.452 0.168 . . . . 71.11 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.63 -34.41 26.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 75.23 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -75.01 -36.93 61.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 75.04 110.283 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -16.16 59.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 74.24 110.261 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 13' ' ' PHE . 46.0 t -79.37 -60.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 73.55 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.98 -31.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.55 110.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.486 ' OD1' ' CE ' ' A' ' 51' ' ' LYS . 4.4 t0 -57.41 -65.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 75.14 109.308 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -50.6 -46.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 74.15 109.282 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.45 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -44.64 -37.33 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 73.35 110.337 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 1.5 mt -63.56 -65.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 71.15 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.565 HD12 ' CD1' ' B' ' 338' ' ' TRP . 1.3 mp -57.64 -17.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 75.23 109.294 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -78.4 -33.76 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 74.04 110.289 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.98 -9.76 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 75.54 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' LEU . 34.6 mt-30 -107.45 -46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.23 110.238 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CG ' HD12 ' A' ' 53' ' ' LEU . 28.7 m-70 -124.85 74.23 64.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.54 109.601 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.11 11.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 74.04 111.02 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -87.99 17.17 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.21 110.354 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -131.16 163.79 26.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 75.02 109.299 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 99' ' ' TYR . 22.7 mm -111.17 116.91 50.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 70.42 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.02 139.97 24.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 60.01 110.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.06 162.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 72.13 109.249 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.543 ' CG2' ' OE1' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -130.65 112.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 73.34 109.269 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 52' ' ' PHE . 1.7 mm -106.57 134.87 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 71.31 109.263 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.543 ' OE1' ' CG2' ' A' ' 34' ' ' ILE . 1.8 pm0 -154.32 158.14 39.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 73.35 110.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -66.43 149.71 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 73.24 110.308 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.556 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 1.8 t80 -67.11 141.26 57.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 72.52 111.038 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.519 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 23.5 mtmt -57.41 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 73.55 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.64 6.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 74.45 110.961 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 9.4 tp10 -111.66 103.89 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 74.3 110.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -110.98 -28.6 8.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 72.3 109.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.0 mm-40 -38.84 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 65.43 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.94 157.04 6.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 74.32 109.267 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 166.48 29.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 74.43 110.976 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.03 135.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 73.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 140.81 58.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 72.3 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -44.29 -46.19 9.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 70.44 109.298 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -144.8 -176.44 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 64.03 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.7 m -116.99 -10.08 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 64.23 110.404 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 12.2 mtmm -113.26 132.62 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 74.5 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 35' ' ' ILE . 24.1 m-85 -137.13 149.6 47.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 72.04 110.984 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 23' ' ' ILE . 36.9 mt -116.64 104.01 10.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 74.13 109.331 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.6 t -88.43 141.58 30.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 73.55 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.99 124.67 8.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 72.21 111.04 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 19.2 p-10 -76.43 57.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.21 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.8 p-80 -163.28 29.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.42 109.624 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 m -147.63 -158.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 73.11 109.255 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.07 154.76 32.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 71.01 109.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.477 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 1.5 ppp? -52.71 -21.96 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 75.42 110.976 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -61.7 -35.12 77.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 60.52 110.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.61 -50.59 69.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 65.32 110.327 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.446 ' CD2' ' CE ' ' A' ' 111' ' ' MET . 6.7 tp -53.57 -36.35 61.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.35 109.26 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.13 -32.71 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 73.44 109.308 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -79.2 -39.94 32.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 65.21 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' B' ' 342' ' ' SER . 11.9 mm -65.7 -30.53 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 73.3 109.247 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 79' ' ' PHE . 9.6 mm -72.51 -69.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.11 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.568 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -41.52 -36.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 75.11 110.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 4.5 mmm180 -58.17 -46.68 85.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 73.23 110.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' CD ' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.53 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 71.15 110.338 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' HB3' ' CG ' ' A' ' 73' ' ' LEU . 8.3 mt -60.39 -16.97 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 72.23 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' LEU . 23.3 pt20 38.57 47.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 75.43 110.346 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -83.96 -178.3 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 75.2 109.304 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 4.4 m120 -129.92 -175.02 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 74.2 109.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.93 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 64.32 109.346 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -51.55 -40.22 59.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 74.34 109.316 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 74' ' ' ASN . 50.5 tp60 -91.68 138.01 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 75.3 110.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.63 127.65 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 75.3 109.318 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 68' ' ' ARG . 1.1 t80 -116.6 134.55 54.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.54 110.975 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.528 ' CD1' ' CB ' ' A' ' 117' ' ' GLU . 5.9 m-85 -143.41 121.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 74.22 110.994 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' CD1' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -92.5 135.94 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 75.43 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 1.8 mm? -116.3 104.87 11.93 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 74.12 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.585 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 3.2 t -73.16 108.91 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 75.33 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.34 24.04 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 73.33 109.234 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.79 7.83 77.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 75.13 110.99 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 11.5 p80 -130.22 139.69 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 74.02 109.584 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -57.47 172.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 72.54 110.113 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.412 ' HG2' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -120.06 19.34 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 74.41 111.069 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 90' ' ' SER . 7.1 p -40.56 120.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 72.21 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.5 OUTLIER 84.34 44.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 61.44 110.031 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.477 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -37.88 -77.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 75.24 109.3 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.475 ' N ' HG21 ' A' ' 91' ' ' VAL . 0.7 OUTLIER 38.23 30.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 74.42 109.964 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' VAL . 88.1 m -142.11 139.36 17.86 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 72.01 110.424 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.453 ' HG2' ' CG ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 137.95 22.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.464 1.771 . . . . 74.22 110.986 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -53.84 -20.69 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 74.51 109.279 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.0 p -70.7 -37.93 73.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 73.11 109.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' CG ' ' HG2' ' A' ' 94' ' ' PRO . 54.3 mm-40 -85.56 -47.47 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 74.43 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.9 t -52.72 -30.46 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 74.24 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 31' ' ' ILE . 5.0 t80 -82.16 -38.1 25.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.42 110.985 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -83.41 -3.94 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.24 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.2 m -112.32 5.83 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 63.15 110.062 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -135.34 -46.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 75.1 110.328 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.478 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.0 ppt_? -37.29 147.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 74.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.81 -174.91 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 52.11 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.96 -47.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 74.25 110.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.52 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 8.4 p-10 -49.66 -48.61 49.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 72.31 109.329 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 98.83 12.45 43.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 52.32 110.97 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -114.34 134.34 55.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 73.31 111.041 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.551 HD22 ' CD2' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -77.88 135.58 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 71.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.453 ' CE2' ' OD1' ' A' ' 106' ' ' ASP . 89.5 m-85 -112.78 120.91 43.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 75.44 111.004 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.446 ' CE ' ' CD2' ' A' ' 63' ' ' LEU . 4.2 mtt -130.96 150.29 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 71.41 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.556 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -135.27 119.68 26.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 74.1 109.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 4.1 p90 -100.82 153.25 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -166.96 179.03 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 72.12 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.2 t -87.66 20.43 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 63.34 109.985 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -149.85 136.43 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.45 110.248 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.528 ' CB ' ' CD1' ' A' ' 80' ' ' PHE . 5.2 tt0 -120.7 -5.85 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.01 110.348 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 62.51 110.365 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.31 -0.626 . . . . 74.41 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.789 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 16.5 m0 -46.87 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.43 108.055 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER 179.33 124.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 75.25 110.4 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -79.46 118.35 21.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 75.33 109.583 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 3.6 mt -81.5 116.16 21.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.23 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -108.55 127.38 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 63.13 110.002 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.35 11.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 65.44 109.99 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -104.23 -23.01 13.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 73.3 109.319 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.84 -0.6 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.52 110.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 4.4 m -76.85 -179.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 74.23 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 64.45 109.306 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 1.1 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.474 0.178 . . . . 71.11 110.963 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.06 -19.18 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 75.23 110.342 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.39 -29.28 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 75.04 110.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -90.42 -21.87 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 74.24 110.315 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.2 m -75.15 -39.0 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 73.55 109.333 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -64.58 -14.8 59.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.55 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.47 ' OD2' ' CE ' ' A' ' 51' ' ' LYS . 22.8 t0 -77.81 -59.1 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 75.14 109.272 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.32 -46.77 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 74.15 109.288 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 44.9 ttm-85 -38.29 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.35 110.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 2.7 mt -72.92 -64.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 71.15 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.574 HD13 ' CD1' ' B' ' 338' ' ' TRP . 1.2 mp -53.29 -20.75 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 75.23 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.72 -36.06 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 74.04 110.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -8.81 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.54 110.287 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -103.45 -54.2 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 74.23 110.328 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.509 ' CG ' HD13 ' A' ' 53' ' ' LEU . 10.8 m-70 -117.75 80.23 13.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.54 109.618 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -28.24 9.43 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 74.04 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -89.73 23.98 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 72.21 110.39 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -135.76 163.14 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 75.02 109.282 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.603 ' CG2' ' CG ' ' A' ' 99' ' ' TYR . 6.6 mm -116.26 120.38 35.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 70.42 109.283 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.562 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.502 1.791 . . . . 60.01 110.978 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.35 155.13 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 72.13 109.28 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.578 HG12 ' CE1' ' A' ' 108' ' ' PHE . 16.1 mm -128.03 102.31 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 73.34 109.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.456 ' CD1' HD11 ' A' ' 67' ' ' ILE . 29.2 mt -98.78 126.72 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 71.31 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -136.76 170.87 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 73.35 110.285 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -79.07 142.4 36.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 73.24 110.343 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.4 t80 -61.92 145.08 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 72.52 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.5 ptpp? -60.0 91.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 73.55 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.75 20.59 6.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 74.45 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.7 tp10 -111.08 103.91 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 74.3 110.282 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -111.91 -31.15 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 72.3 109.195 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.446 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 27.8 mm-40 -38.48 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 65.43 110.246 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 115' ' ' SER . 1.1 mp -55.99 156.52 9.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.32 109.347 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.06 165.2 31.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 74.43 110.992 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.2 t -81.68 122.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 73.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.525 ' HG ' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -40.09 141.68 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 72.3 109.321 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.442 ' N ' HD13 ' A' ' 47' ' ' LEU . 13.8 t0 -41.94 -42.76 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 70.44 109.263 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.477 ' HD3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -147.61 -167.59 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 64.03 109.299 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.8 m -114.36 -28.12 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 64.23 110.38 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 7.2 mtmm -96.45 129.71 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 74.5 109.287 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.525 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 60.1 m-85 -140.45 135.25 31.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 72.04 110.993 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 27' ' ' HIS . 37.4 mt -103.0 103.28 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 74.13 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 1.9 t -86.03 142.8 36.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.55 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.509 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.03 132.82 15.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.559 1.82 . . . . 72.21 110.953 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.11 11.79 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.21 109.321 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -106.98 -1.45 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.42 109.598 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 55' ' ' PRO . 4.7 m -119.86 -161.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 73.11 109.352 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -123.2 171.43 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 71.01 109.264 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.484 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.4 ppp? -61.0 -27.13 68.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 75.42 111.013 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.496 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -60.56 -57.82 11.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 60.52 110.074 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.84 -47.96 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 65.32 110.358 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -48.91 -41.24 33.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 75.35 109.31 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.427 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 24.6 mm -54.9 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 73.44 109.291 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -44.69 -38.78 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 65.21 109.265 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' B' ' 342' ' ' SER . 1.5 mm -62.76 -58.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 73.3 109.327 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.708 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 31.8 mm -43.89 -55.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 74.11 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.8 mtt180 -42.26 -55.92 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 75.11 110.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.55 -32.13 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 73.23 110.329 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -71.26 -51.27 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 71.15 110.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 0.1 OUTLIER -62.03 -22.55 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 72.23 109.313 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 22.8 pt20 45.04 55.18 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 75.43 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.406 ' CG ' ' HB3' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -93.71 -172.27 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 75.2 109.212 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -110.41 -174.75 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.2 109.348 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.94 -4.68 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 64.32 109.366 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -96.14 -29.81 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.34 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -80.9 138.67 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.3 110.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.15 143.82 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 75.3 109.346 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.708 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 2.6 t80 -141.91 133.67 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 75.54 111.0 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 22.4 m-85 -141.98 115.26 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 74.22 111.022 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.488 ' CD1' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -84.72 124.34 31.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 75.43 109.328 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -100.03 119.1 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.12 109.319 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.9 t -85.41 106.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 75.33 109.244 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.42 9.05 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 73.33 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.61 2.1 37.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 75.13 110.984 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 19.0 p80 -123.56 129.12 50.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 0.803 . . . . 74.02 109.583 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.452 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -57.55 172.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 72.54 109.945 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.61 40.83 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 74.41 110.992 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.3 p -38.63 -31.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.21 109.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.7 t -122.01 102.6 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 61.44 109.982 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.496 HG22 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -105.11 87.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 75.24 109.344 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.5 13.6 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 74.42 109.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 29.1 m -125.22 144.48 47.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.01 110.335 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.94 138.73 23.58 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.48 1.779 . . . . 74.22 111.062 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -47.53 -25.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 74.51 109.261 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -64.8 -44.37 90.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 73.11 110.032 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' SER . 43.6 mt-10 -79.46 -54.88 5.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.43 110.35 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 18.9 t -41.75 -33.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 74.24 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.603 ' CG ' ' CG2' ' A' ' 31' ' ' ILE . 2.7 t80 -78.46 -47.4 17.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 73.42 110.965 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -4.44 33.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.24 110.321 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -114.18 -1.17 13.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 63.15 110.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 10.5 mm-40 -126.37 -57.32 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 75.1 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.44 155.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 74.0 110.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' GLU . 4.0 t0 -111.24 -178.63 3.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 52.11 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' ASP . 10.1 mt-10 -38.44 -49.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 74.25 110.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' GLU . 18.4 p-10 -40.0 -51.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 72.31 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.472 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . 100.84 24.68 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 52.32 111.03 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.783 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -129.88 133.59 46.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 73.31 111.052 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.446 HD12 ' CE ' ' A' ' 111' ' ' MET . 3.7 mt -79.2 148.65 32.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 71.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.38 107.13 7.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 75.44 110.996 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.446 ' CE ' HD12 ' A' ' 109' ' ' LEU . 5.3 mtt -122.97 148.63 45.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 71.41 110.973 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 3.4 t -120.51 125.96 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 74.1 109.346 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 8.1 p90 -106.72 153.67 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 73.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.14 178.23 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.12 109.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.445 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 10.9 t -90.66 31.31 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 63.34 109.935 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 3.6 pt20 -149.9 123.93 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.45 110.342 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 5.3 tt0 -107.6 -7.05 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 74.01 110.274 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 62.51 110.415 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.256 -0.646 . . . . 74.41 109.256 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.783 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.4 m0 -68.26 -153.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 73.43 107.969 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.83 156.18 16.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 75.25 110.385 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.91 130.99 55.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.33 109.574 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 63' ' ' LEU . 3.3 mt -98.82 123.8 43.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 73.23 109.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -124.37 127.1 47.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 63.13 109.989 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.74 11.86 14.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 65.44 110.038 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -25.38 13.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 73.3 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.1 -1.05 57.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 61.52 110.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 14.9 m -71.64 -173.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 74.23 109.195 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 37.2 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 64.45 109.339 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.523 0.202 . . . . 71.11 110.976 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.85 -34.77 71.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 75.23 110.238 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -79.38 -34.04 42.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.04 110.263 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.579 ' NH2' ' HD2' ' A' ' 19' ' ' ASP . 4.5 mmp_? -73.37 -28.16 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 74.24 110.311 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.0 t -77.79 -34.92 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 73.55 109.257 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -79.12 -37.69 38.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 74.55 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.579 ' HD2' ' NH2' ' A' ' 16' ' ' ARG . 8.2 t70 -57.87 -49.4 76.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 75.14 109.339 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -68.95 -48.97 67.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 74.15 109.334 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 62.7 ttt180 -43.66 -26.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 73.35 110.319 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -74.72 -63.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 71.15 109.317 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.554 HD13 ' CD1' ' B' ' 338' ' ' TRP . 1.1 mp -51.7 -20.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 75.23 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 30' ' ' LYS . 2.5 mmp_? -67.34 -38.21 84.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.04 110.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' OE2' ' C ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -93.49 -37.4 11.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 75.54 110.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.484 ' C ' ' CD2' ' A' ' 27' ' ' HIS . 49.1 mt-30 -78.12 -22.45 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 74.23 110.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.515 ' CG ' HD11 ' A' ' 53' ' ' LEU . 32.1 m-70 -150.77 71.14 8.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.54 109.58 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.82 11.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.422 1.748 . . . . 74.04 110.955 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -88.12 12.08 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.21 110.38 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 7.9 mmtp -125.83 169.31 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 75.02 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.478 HG22 ' CG ' ' A' ' 99' ' ' TYR . 7.0 mm -119.69 121.01 30.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 70.42 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.4 Cg_endo -74.87 130.16 13.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 60.01 111.004 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.459 ' HB ' ' CE ' ' A' ' 111' ' ' MET . 1.5 m -140.9 159.36 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 72.13 109.279 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.545 HG12 ' CE1' ' A' ' 108' ' ' PHE . 20.4 mm -131.41 118.07 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 73.34 109.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.566 ' HB ' ' CE2' ' A' ' 52' ' ' PHE . 4.1 mm -103.75 127.46 57.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 71.31 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' OE1' ' CG2' ' A' ' 34' ' ' ILE . 2.3 mp0 -133.35 162.19 32.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 73.35 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -82.09 126.04 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.24 110.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.521 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 1.4 t80 -46.91 140.85 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 72.52 110.94 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -56.82 97.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 73.55 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CD ' ' A' ' 42' ' ' LYS . . . 112.88 14.65 9.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 74.45 111.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.575 ' OE1' ' CE1' ' A' ' 113' ' ' TYR . 6.0 tt0 -86.07 122.32 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 0.801 . . . . 74.3 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -124.05 -42.84 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 72.3 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -42.34 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 65.43 110.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 115' ' ' SER . 2.3 mm? -55.14 144.82 48.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 74.32 109.28 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 167.08 27.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 74.43 110.996 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.57 111.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 73.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.18 148.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 72.3 109.312 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -54.36 -43.28 71.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 70.44 109.351 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.454 ' HE2' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -142.81 -175.19 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 64.03 109.354 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' CD2' ' A' ' 52' ' ' PHE . 11.0 m -115.08 -32.29 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 64.23 110.375 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 6.5 mtmm -83.69 130.89 34.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 74.5 109.247 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE2' ' HB ' ' A' ' 35' ' ' ILE . 83.4 m-85 -140.43 135.34 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 72.04 111.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 27' ' ' HIS . 41.1 mt -104.33 104.06 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 74.13 109.319 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.1 t -87.45 142.27 32.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 73.55 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.499 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.04 131.93 14.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 72.21 110.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 6.0 p-10 -87.57 44.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 73.21 109.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -141.55 15.3 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.42 109.532 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.19 -164.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 73.11 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.22 161.69 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 71.01 109.287 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.479 ' CE ' HG22 ' A' ' 83' ' ' VAL . 2.1 ppp? -56.53 -20.54 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 75.42 110.972 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -53.47 54.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 60.52 110.026 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 20.5 mm-40 -42.12 -55.78 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 65.32 110.253 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -40.72 -46.57 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.35 109.308 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mm -53.38 -47.63 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 73.44 109.274 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' GLU . 37.4 mttt -62.01 -27.92 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 65.21 109.351 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' B' ' 342' ' ' SER . 3.5 mm -71.89 -58.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 73.3 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.636 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 10.5 mm -48.28 -62.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 74.11 109.335 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.574 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.9 ptm85 -50.41 -37.31 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 75.11 110.333 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' NH2' ' O ' ' B' ' 345' ' ' GLU . 11.4 mmm180 -69.09 -27.14 65.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 73.23 110.344 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -42.69 30.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 71.15 110.302 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 18.1 mt -70.38 -13.5 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 72.23 109.255 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.4 pt20 44.96 50.15 9.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 75.43 110.329 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -86.94 -174.05 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 75.2 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -123.28 -175.79 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 74.2 109.241 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.22 71.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 64.32 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -64.34 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 74.34 109.261 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.425 ' NE2' ' OG ' ' A' ' 115' ' ' SER . 41.3 tp60 -87.89 127.12 35.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.3 110.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 115' ' ' SER . . . -98.09 129.96 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 75.3 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.636 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -130.56 136.89 49.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 75.54 111.032 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 14.3 m-85 -143.52 131.4 21.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 74.22 110.974 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 111' ' ' MET . 0.2 OUTLIER -102.39 118.66 37.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 75.43 109.279 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -95.74 101.23 12.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 74.12 109.333 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.593 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 3.0 t -66.57 110.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 75.33 109.329 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.43 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 2.0 m-20 67.08 22.54 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.33 109.251 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.49 4.99 72.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.56 1.162 . . . . 75.13 111.027 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 22.9 p80 -124.41 136.71 54.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 74.02 109.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 p -58.14 172.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 72.54 109.93 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.423 ' HE3' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -129.33 15.09 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 74.41 111.032 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.485 ' CG2' ' OE1' ' A' ' 117' ' ' GLU . 88.9 t -40.45 122.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.21 109.272 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.4 t 81.97 50.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 61.44 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -40.39 100.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 75.24 109.297 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -114.32 24.91 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.42 110.041 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 43.8 m -157.11 139.36 10.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.01 110.392 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 93' ' ' THR . 18.0 Cg_endo -75.06 147.03 33.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.452 1.764 . . . . 74.22 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.475 ' CD1' HG13 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -55.45 -19.3 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.51 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.1 67.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.11 110.025 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 101' ' ' SER . 15.8 mm-40 -93.25 -52.28 4.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 74.43 110.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 6.6 t -42.74 -29.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.24 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 7.2 t80 -75.73 -58.99 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.204 . . . . 73.42 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 1.8 pt-20 -69.48 -6.65 31.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 74.24 110.265 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' GLU . 10.9 m -106.1 -2.11 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 1.129 . . . . 63.15 110.022 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.444 ' OE1' ' NE2' ' A' ' 86' ' ' HIS . 16.3 mm-40 -131.27 -60.82 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 75.1 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.81 146.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 74.0 110.26 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ASP . 2.0 t0 -100.92 176.8 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.11 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -39.06 -30.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 74.25 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -53.6 -51.69 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 72.31 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.451 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . 101.16 10.9 40.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.449 1.093 . . . . 52.32 111.016 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.651 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -117.69 127.47 53.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 73.31 111.068 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' ILE . 4.4 mt -80.27 136.47 36.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 71.0 109.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -119.07 107.16 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.44 110.981 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.459 ' CE ' ' HB ' ' A' ' 33' ' ' VAL . 20.0 mtt -115.41 148.07 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 71.41 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.544 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.4 t -123.85 114.51 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 74.1 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.575 ' CE1' ' OE1' ' A' ' 41' ' ' GLU . 4.6 p90 -102.14 161.91 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 73.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.25 179.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 72.12 109.295 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.427 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -87.06 23.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 63.34 110.014 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -149.67 133.46 16.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 70.45 110.352 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 5.4 tt0 -116.14 -7.45 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 74.01 110.362 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 62.51 110.41 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 6.8 p30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.626 . . . . 74.41 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.651 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -65.13 -155.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.43 107.945 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 5.4 t -95.82 149.98 20.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 75.25 110.348 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.86 120.97 40.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 75.33 109.63 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.47 HD21 ' CG2' ' A' ' 66' ' ' ILE . 2.8 mt -94.41 116.36 28.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 73.23 109.365 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -113.71 126.09 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 63.13 109.931 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.435 ' O ' ' CG2' ' B' ' 346' ' ' VAL . 3.9 p -79.95 -2.06 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 65.44 110.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -29.36 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 73.3 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . 0.443 ' O ' ' NH2' ' A' ' 69' ' ' ARG . 45.1 mt-10 -77.74 -7.01 55.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 61.52 110.273 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 66' ' ' ILE . 10.3 m -78.86 176.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 74.23 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 64.45 109.296 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.517 0.199 . . . . 71.11 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -47.81 -42.21 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 75.23 110.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -65.18 -40.93 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 75.04 110.229 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -69.2 -25.24 64.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.513 1.133 . . . . 74.24 110.287 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -73.22 -45.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 73.55 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.62 -49.0 76.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.55 110.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NE1' ' B' ' 338' ' ' TRP . 1.9 t70 -48.8 -39.11 24.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 75.14 109.296 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 2.5 t -68.25 -36.68 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.15 109.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -52.53 -21.6 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 73.35 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -92.82 -63.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 71.15 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.419 HD12 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -49.64 -22.9 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 75.23 109.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 6.8 mmt180 -76.1 -36.65 58.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 74.04 110.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.44 -4.58 34.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 75.54 110.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' LEU . 36.3 mt-30 -106.4 -53.33 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.23 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.475 ' CG ' HD11 ' A' ' 53' ' ' LEU . 5.4 m-70 -120.94 81.13 34.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.54 109.62 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.88 -35.26 3.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 74.04 111.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -89.91 33.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 72.21 110.377 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -138.52 148.34 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 75.02 109.28 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.564 HG23 ' CD2' ' A' ' 99' ' ' TYR . 28.0 mm -101.9 113.86 65.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 70.42 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 18.4 Cg_endo -74.99 136.46 20.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 60.01 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -146.39 149.05 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 72.13 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.0 mm -120.86 95.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 73.34 109.318 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.4 mt -92.19 127.65 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 71.31 109.322 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -127.77 168.53 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 73.35 110.289 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -79.73 132.24 36.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.24 110.337 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.554 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 1.8 t80 -58.16 131.45 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 72.52 110.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 3.8 ptmm? -51.18 102.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 73.55 109.327 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.34 13.1 12.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 74.45 110.972 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.51 103.93 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 74.3 110.309 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.95 -33.84 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.3 109.274 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.451 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 18.4 mm-40 -51.35 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 65.43 110.32 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.2 mt -54.83 147.58 31.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 74.32 109.267 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.555 1.818 . . . . 74.43 110.954 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.53 131.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 73.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -61.44 147.79 43.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 72.3 109.329 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' CB ' ' HD2' ' A' ' 49' ' ' LYS . 2.3 m-20 -46.98 -40.96 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 70.44 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.454 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -153.81 -174.11 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 64.03 109.34 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m -112.55 -29.42 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 64.23 110.4 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 8.9 mtmm -88.72 123.58 33.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 74.5 109.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -132.27 146.2 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 72.04 111.033 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 27' ' ' HIS . 59.1 mt -113.84 103.76 11.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 74.13 109.31 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.504 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.1 t -87.71 142.38 32.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 73.55 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.04 133.11 16.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.789 . . . . 72.21 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 4.4 p-10 -86.34 44.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.21 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.636 ' CE1' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.31 14.52 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 74.42 109.562 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.636 ' CG1' ' CE1' ' A' ' 57' ' ' HIS . 24.4 m -137.34 -165.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 73.11 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.52 157.62 24.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 71.01 109.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.493 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.1 ppp? -47.35 -24.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.142 . . . . 75.42 110.954 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.472 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.4 -52.18 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 60.52 110.035 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' LYS . 6.5 mm-40 -44.84 -49.85 10.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.32 110.343 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.06 -40.0 43.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 75.35 109.269 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.479 HD12 ' CD1' ' A' ' 63' ' ' LEU . 27.9 mm -62.86 -30.44 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 73.44 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -75.71 -31.39 59.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 65.21 109.345 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' B' ' 342' ' ' SER . 13.5 mm -70.96 -54.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 73.3 109.34 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.564 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 14.0 mm -52.18 -61.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 74.11 109.323 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' NH2' HG21 ' A' ' 64' ' ' ILE . 5.5 ptp180 -56.78 -22.4 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 75.11 110.348 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 5.3 mmt180 -79.76 -24.73 41.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 73.23 110.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.449 ' CD ' HG23 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -84.16 -46.14 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 71.15 110.268 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLN . 6.9 mt -66.44 -25.04 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.23 109.301 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' LEU . 25.6 pt20 37.47 49.72 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 75.43 110.243 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -173.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 75.2 109.351 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 76' ' ' ASN . 19.7 p30 -104.41 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 74.2 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.67 59.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 64.32 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.415 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . 7.7 t-20 -83.4 -28.39 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.34 109.32 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -86.09 138.17 32.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 75.3 110.316 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 115' ' ' SER . . . -113.56 128.69 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.3 109.348 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -120.94 141.93 50.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.54 110.971 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.93 132.96 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 74.22 110.983 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.448 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -98.33 122.58 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 75.43 109.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 81' ' ' LEU . 2.5 mm? -105.12 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 74.12 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 86' ' ' HIS . 4.0 t -76.14 111.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.33 109.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 66.86 10.92 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 73.33 109.254 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.96 11.61 39.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 75.13 111.014 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.566 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.0 p80 -131.23 143.59 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 74.02 109.658 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 83.7 p -57.81 166.67 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 72.54 109.963 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.78 11.48 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.41 111.015 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' SER . 6.4 p -39.44 133.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 72.21 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 86.16 22.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 61.44 109.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.493 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.37 97.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 75.24 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' SER . 18.8 t -131.86 9.42 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.42 109.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 96.7 m -119.99 143.64 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 72.01 110.36 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.96 139.56 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 74.22 111.028 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.425 ' CD1' HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.29 -23.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.51 109.229 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -68.59 -39.21 81.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 73.11 109.976 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 40.7 mm-40 -85.13 -48.63 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 74.43 110.362 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.9 t -48.15 -34.95 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 74.24 109.288 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.565 ' CD2' HD22 ' A' ' 109' ' ' LEU . 1.2 t80 -80.94 -34.85 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 73.42 110.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -82.86 -4.24 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.24 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 m -114.57 5.61 15.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 63.15 109.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 103' ' ' ARG . 18.5 mm-40 -134.4 -46.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 75.1 110.301 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.99 153.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.0 110.339 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -174.99 2.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 52.11 109.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.9 -43.84 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 74.25 110.304 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.402 ' OD2' ' OH ' ' A' ' 110' ' ' TYR . 19.9 p-10 -53.63 -47.7 70.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 72.31 109.26 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.8 23.94 7.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 52.32 111.023 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.767 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.07 132.33 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 73.31 111.023 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.79 138.75 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 71.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.402 ' OH ' ' OD2' ' A' ' 106' ' ' ASP . 86.4 m-85 -126.22 106.85 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 75.44 111.026 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.2 mtt -133.31 154.07 51.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 71.41 110.965 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.554 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -116.09 143.89 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 74.1 109.301 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -121.72 139.93 52.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -168.29 179.23 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 72.12 109.322 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.401 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 23.6 t -85.7 39.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 63.34 110.019 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -147.73 128.62 14.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 70.45 110.31 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 80' ' ' PHE . 9.7 tt0 -127.38 -2.81 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 74.01 110.306 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 62.51 110.416 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.284 -0.635 . . . . 74.41 109.284 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.767 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -82.13 -153.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 73.43 108.005 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -98.23 147.36 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 75.25 110.4 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.87 123.51 46.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 75.33 109.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 4.8 mt -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 73.23 109.35 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.46 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -111.38 123.11 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 63.13 109.984 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.414 ' HB2' ' CD ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -85.19 10.52 12.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 65.44 110.041 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.09 -29.65 13.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 73.3 109.313 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.6 -1.4 57.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.52 110.287 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.46 ' HA ' ' CD ' ' A' ' 69' ' ' ARG . 22.3 m -76.97 178.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 74.23 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 64.45 109.29 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.524 ' CZ ' ' OD1' ' A' ' 106' ' ' ASP . 2.0 t80 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.478 0.18 . . . . 71.11 110.957 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 8.2 mt-10 -65.59 -31.07 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 75.23 110.337 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.406 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 6.0 mm100 -70.57 -47.29 60.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 75.04 110.279 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' NH2' ' HB3' ' A' ' 15' ' ' GLN . 5.9 mmp_? -61.58 -55.02 35.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 74.24 110.298 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 14' ' ' GLU . 7.1 p -56.46 -38.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.55 109.295 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 24.2 tt0 -55.15 -57.7 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 74.55 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' ARG . 9.8 t0 -49.92 -53.86 23.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 75.14 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 108' ' ' PHE . 8.5 t -39.77 -32.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 74.15 109.319 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 8.7 ttt85 -57.28 -53.12 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 73.35 110.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.9 mt -56.84 -51.09 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 71.15 109.292 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.506 ' HB ' ' CZ2' ' B' ' 338' ' ' TRP . 1.2 tp -62.26 -27.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 75.23 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.3 mmm180 -71.9 -33.42 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.04 110.261 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -100.61 -4.7 27.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 75.54 110.27 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 22' ' ' LEU . 26.3 mt-30 -106.6 -59.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 74.23 110.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.587 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 8.2 m-70 -117.02 80.75 11.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 74.54 109.657 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -75.0 -32.78 5.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.552 1.817 . . . . 74.04 111.07 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -89.64 30.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.21 110.439 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 55' ' ' PRO . 24.2 mmtt -138.13 144.93 41.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 75.02 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.564 HG21 ' CD2' ' A' ' 99' ' ' TYR . 17.0 mm -96.64 114.55 64.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 70.42 109.341 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.93 131.99 15.01 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.451 1.764 . . . . 60.01 111.018 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.67 160.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 72.13 109.344 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.512 HG12 ' CE1' ' A' ' 108' ' ' PHE . 1.9 mm -134.9 95.9 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 73.34 109.274 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 67' ' ' ILE . 49.5 mt -95.89 129.17 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 71.31 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -131.83 165.7 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 73.35 110.323 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -73.62 136.07 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 73.24 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -57.53 139.95 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.52 111.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 13.4 ptmt -59.44 98.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 73.55 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.51 20.24 9.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 74.45 111.049 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.5 tm-20 -110.52 103.84 12.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 74.3 110.254 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 -22.43 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 72.3 109.299 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -44.29 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 65.43 110.348 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' A' ' 115' ' ' SER . 1.2 mp -58.98 154.67 37.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.32 109.332 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.89 30.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 74.43 110.99 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.6 t -83.29 122.77 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 73.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' HG ' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -40.98 146.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 72.3 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.427 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.3 m-20 -47.66 -44.78 27.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 70.44 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.445 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.1 OUTLIER -139.95 -172.15 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 64.03 109.392 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 m -113.98 -28.97 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 64.23 110.431 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.6 mtmp? -94.5 126.08 39.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 74.5 109.235 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 87.5 m-85 -135.87 126.96 27.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 72.04 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.587 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 14.0 mt -92.79 103.83 16.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 74.13 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.5 t -86.61 141.59 34.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 73.55 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 134.23 17.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.413 1.744 . . . . 72.21 110.954 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.7 p-10 -86.85 46.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 73.21 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.582 ' CE1' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -144.04 16.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 74.42 109.531 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.582 ' CG1' ' CE1' ' A' ' 57' ' ' HIS . 18.8 m -136.64 -162.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 73.11 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.82 174.66 5.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 71.01 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.503 ' SD ' ' C ' ' A' ' 60' ' ' MET . 2.5 ppp? -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 75.42 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -67.44 -42.44 83.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 60.52 109.959 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.04 -30.56 48.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.422 1.076 . . . . 65.32 110.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' B' ' 341' ' ' LEU . 0.4 OUTLIER -65.97 -29.63 70.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 75.35 109.322 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 6.3 mt -75.82 -41.9 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 73.44 109.258 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 65' ' ' LYS . 6.9 mmtt -61.96 -23.66 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 65.21 109.308 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.481 ' CG2' HD21 ' B' ' 341' ' ' LEU . 97.2 mt -89.32 -62.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 73.3 109.297 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.564 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 14.5 mm -39.78 -48.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 74.11 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 4.2 ptm85 -61.24 -44.16 97.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 75.11 110.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 14.8 mmm180 -57.88 -30.99 66.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.437 1.086 . . . . 73.23 110.276 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.41 ' NE ' HG21 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -73.43 -40.4 64.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 71.15 110.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 33.8 mt -69.26 -8.61 47.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 72.23 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 21.9 pt20 45.83 39.62 5.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 75.43 110.323 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.423 ' HG ' ' CB ' ' A' ' 71' ' ' LEU . 18.1 mt -71.85 172.92 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 75.2 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -108.43 167.65 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 74.2 109.383 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.32 -15.69 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 64.32 109.272 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -86.13 -23.54 26.57 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.532 1.145 . . . . 74.34 109.293 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -83.39 139.4 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 75.3 110.317 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.21 138.37 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 75.3 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -143.22 147.75 35.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 75.54 111.027 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 39.1 m-85 -143.46 119.98 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 74.22 110.956 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -86.75 109.66 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 75.43 109.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 0.8 OUTLIER -92.09 116.06 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.12 109.307 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.514 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.8 t -85.79 110.65 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 75.33 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.425 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 71.84 7.18 5.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 73.33 109.277 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.22 6.75 38.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 75.13 110.976 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.7 p80 -128.32 139.19 52.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 74.02 109.594 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.62 171.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 72.54 110.008 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.41 ' HG2' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -113.93 15.19 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 74.41 110.953 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 90' ' ' SER . 3.2 m -40.24 126.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.21 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 89.13 21.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 61.44 110.036 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.499 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.21 107.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 75.24 109.369 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.77 12.38 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 74.42 110.06 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 54.3 m -124.18 143.21 42.02 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.462 1.101 . . . . 72.01 110.394 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.03 143.9 29.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 74.22 110.987 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.426 ' CD1' HG13 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -54.65 -20.23 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.51 109.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.5 p -68.77 -36.59 78.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 73.11 109.996 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' SER . 5.9 mm-40 -91.67 -50.06 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 74.43 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.05 -38.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 74.24 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -77.42 -36.04 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 73.42 111.003 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -81.49 -4.17 55.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 74.24 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.91 5.93 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 63.15 110.102 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE2' ' ND2' ' A' ' 84' ' ' ASN . 21.4 mm-40 -133.59 -48.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 75.1 110.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.16 149.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 74.0 110.363 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 -175.11 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 52.11 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -49.71 -47.73 50.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 74.25 110.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.524 ' OD1' ' CZ ' ' A' ' 13' ' ' PHE . 3.1 p-10 -46.25 -50.48 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 72.31 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.21 45.48 1.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 52.32 110.987 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -145.28 131.38 19.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 73.31 110.987 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.47 138.25 38.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 71.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -124.6 108.97 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 75.44 110.97 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.405 ' SD ' ' CG2' ' A' ' 83' ' ' VAL . 5.6 mtt -130.27 139.17 50.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 71.41 111.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.0 t -110.55 133.76 54.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 74.1 109.302 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.53 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.8 p90 -113.19 152.93 29.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 1.149 . . . . 73.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.91 178.84 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 72.12 109.337 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.47 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 6.5 t -88.18 24.29 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 63.34 110.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.8 tp60 -149.91 142.23 24.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 70.45 110.365 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 4.6 tt0 -122.49 -2.21 8.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 74.01 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 74.3 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 62.51 110.446 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.244 -0.65 . . . . 74.41 109.244 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.755 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 3.6 m0 -76.83 -152.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 73.43 108.022 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 2.1 m -89.49 168.74 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.25 110.406 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -125.04 121.68 35.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.33 109.569 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.587 ' CD1' ' CD2' ' A' ' 63' ' ' LEU . 6.8 mt -99.28 113.95 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 73.23 109.312 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' B' ' 345' ' ' GLU . 0.7 OUTLIER -111.45 123.96 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 63.13 109.976 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.476 ' O ' ' CG2' ' B' ' 346' ' ' VAL . 0.3 OUTLIER -78.13 0.59 24.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 65.44 109.936 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -21.16 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.3 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' B' ' 342' ' ' SER . 5.0 mm-40 -87.43 -7.39 57.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 61.52 110.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' B' ' 343' ' ' SER . 29.9 m -79.89 -177.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 74.23 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 64.45 109.278 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 105' ' ' GLU . 1.8 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.506 0.193 . . . . 71.11 110.998 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.529 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 2.7 pt-20 -81.95 -21.5 37.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.23 110.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -82.96 -19.98 36.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 75.04 110.292 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -90.84 -38.18 13.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.24 110.294 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.529 ' CG1' ' HA ' ' A' ' 14' ' ' GLU . 6.8 p -76.01 -34.99 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 73.55 109.278 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.09 -47.05 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 74.55 110.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 75.14 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.611 ' CG2' ' CD2' ' A' ' 108' ' ' PHE . 26.5 t -55.79 -24.63 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 74.15 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -58.76 -44.19 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 73.35 110.34 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.4 mt -62.6 -54.84 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 71.15 109.376 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.512 HD11 ' CG ' ' B' ' 338' ' ' TRP . 1.1 tp -61.49 -26.67 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.23 109.341 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.2 mmm180 -72.54 -33.41 66.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 74.04 110.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.58 -4.93 27.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.54 110.368 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' LEU . 31.7 mt-30 -104.86 -58.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 74.23 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -117.19 80.83 12.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 74.54 109.592 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.93 -32.58 5.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 74.04 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.9 p -89.83 30.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 72.21 110.481 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -136.46 151.66 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 75.02 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 99' ' ' TYR . 17.0 mm -103.65 113.59 65.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 70.42 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -74.96 139.28 24.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 60.01 110.946 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 52' ' ' PHE . 3.5 m -142.45 161.81 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 72.13 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -135.91 95.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 73.34 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.9 mt -95.36 131.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 71.31 109.361 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' N ' ' OE2' ' A' ' 36' ' ' GLU . 3.6 mp0 -132.62 173.78 10.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 73.35 110.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -80.43 137.48 36.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 73.24 110.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -61.65 137.16 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 72.52 110.959 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.8 mtmt -59.73 99.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.55 109.254 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.63 18.12 9.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 74.45 110.972 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -109.28 108.08 18.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 74.3 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.89 -36.0 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 72.3 109.25 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.428 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 35.4 mt-30 -38.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 65.43 110.405 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.9 mt -54.94 152.25 14.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.32 109.299 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' O ' ' OH ' ' A' ' 113' ' ' TYR . 18.3 Cg_endo -75.05 166.72 28.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.488 1.783 . . . . 74.43 110.987 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.01 121.93 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 73.0 109.235 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.19 149.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.3 109.34 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -58.93 -37.92 77.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 70.44 109.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -144.64 -177.86 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 64.03 109.322 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -113.39 -31.95 6.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 64.23 110.449 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.9 mtmp? -93.59 135.91 34.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.5 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 51' ' ' LYS . 11.1 m-85 -139.99 140.21 36.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 72.04 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' B' ' 339' ' ' THR . 19.3 mt -109.2 104.26 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 74.13 109.31 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.494 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.6 t -91.54 141.44 25.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 73.55 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 135.47 19.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 72.21 110.982 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.9 p-10 -85.86 48.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 73.21 109.362 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CE1' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.97 21.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 74.42 109.598 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.414 ' CG1' ' CE1' ' A' ' 57' ' ' HIS . 33.5 m -137.26 -167.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 73.11 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.72 148.55 40.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 71.01 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.495 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.8 ppp? -42.83 -26.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 75.42 110.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.453 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.98 -47.61 77.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 60.52 110.033 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.441 ' CD ' ' CB ' ' B' ' 343' ' ' SER . 7.1 mt-10 -47.27 -52.15 16.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 65.32 110.35 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.436 HD12 ' CG1' ' A' ' 67' ' ' ILE . 3.2 tp -47.04 -32.59 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 75.35 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 8.2 mm -71.23 -41.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.44 109.251 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 25.1 mtpp -65.0 -35.77 82.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 65.21 109.262 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' B' ' 341' ' ' LEU . 13.7 mm -70.9 -57.71 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 73.3 109.264 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.639 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 20.5 mm -46.09 -68.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 74.11 109.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 12.1 ptm180 -44.17 -42.63 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 75.11 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' CZ ' ' O ' ' B' ' 345' ' ' GLU . 9.1 mmm180 -62.12 -36.26 81.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 73.23 110.318 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -67.5 -46.09 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 71.15 110.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 9.8 mt -64.4 -12.74 46.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 72.23 109.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.2 pt20 45.93 40.8 7.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 75.43 110.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' ' 71' ' ' LEU . 1.8 mt -80.19 -176.52 5.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 75.2 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -121.31 -178.55 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 74.2 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.17 62.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 64.32 109.4 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.32 -25.85 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 74.34 109.353 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -91.36 129.56 37.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.3 110.228 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.57 129.44 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 75.3 109.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.639 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -135.51 134.65 39.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 75.54 111.015 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 22.4 m-85 -143.33 116.0 8.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 74.22 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -84.93 119.01 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 75.43 109.267 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -93.45 120.33 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.12 109.306 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.607 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.9 t -87.27 108.2 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 75.33 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.448 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 72.66 10.29 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 73.33 109.315 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.91 3.11 45.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 75.13 111.043 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 5.7 p80 -124.59 129.97 51.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 0.742 . . . . 74.02 109.595 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.438 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 0.1 OUTLIER -57.8 172.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 72.54 109.972 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.96 40.93 3.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 74.41 110.971 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -39.26 -30.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 72.21 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.3 m -119.55 103.85 9.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 61.44 109.953 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.495 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -108.5 86.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 75.24 109.263 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -124.81 18.08 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 74.42 110.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 3.6 m -129.89 145.97 59.36 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 72.01 110.368 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.1 Cg_endo -74.96 143.52 29.31 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.467 1.772 . . . . 74.22 111.034 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -21.07 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 74.51 109.27 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.7 p -71.26 -35.73 71.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 73.11 110.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.407 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 48.5 mm-40 -88.44 -51.82 5.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 74.43 110.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.0 t -47.01 -33.21 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 74.24 109.272 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 31' ' ' ILE . 2.3 t80 -79.46 -37.63 36.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 73.42 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.29 -3.5 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 74.24 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.9 3.39 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 63.15 110.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.526 ' OE1' ' CE1' ' A' ' 86' ' ' HIS . 3.8 mm-40 -134.16 -51.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 75.1 110.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 5.5 ppt_? -34.74 150.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 74.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -96.66 -174.87 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 52.11 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 6.7 mm-40 -54.49 -38.79 66.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 74.25 110.361 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.636 ' C ' ' OD1' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -57.38 -47.59 81.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 72.31 109.318 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.68 27.6 4.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 52.32 110.956 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.643 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -120.62 133.29 55.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 73.31 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.464 ' CD1' ' HE3' ' A' ' 111' ' ' MET . 3.3 mt -83.28 147.95 27.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 71.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -126.73 106.94 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 75.44 110.979 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' A' ' 109' ' ' LEU . 4.1 mtt -128.99 133.17 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.41 111.027 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 3.0 t -110.24 124.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 74.1 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 4.1 p90 -103.34 153.74 20.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 73.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.78 178.48 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 72.12 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.25 30.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 63.34 110.045 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.79 126.03 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 70.45 110.354 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 11.0 tt0 -110.05 -7.1 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 74.01 110.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.4 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 62.51 110.385 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . 0.4 ' OD2' ' OE1' ' A' ' 26' ' ' GLN . 11.2 m-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.622 . . . . 74.41 109.322 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.643 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 3.4 m0 -61.79 -152.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 73.43 107.971 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -100.26 146.67 26.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.25 110.391 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.51 123.49 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 75.33 109.602 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.559 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.9 OUTLIER -89.89 119.85 30.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 73.23 109.376 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.21 120.24 40.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 63.13 110.046 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' GLU . 3.8 t -90.1 21.68 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 65.44 109.987 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -105.43 -29.57 10.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 73.3 109.32 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . 0.412 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.3 mt-10 -93.55 -2.24 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.52 110.249 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 66' ' ' ILE . 22.3 m -77.06 -171.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.23 109.264 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 64.45 109.278 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.494 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.429 0.157 . . . . 71.11 111.009 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 4.4 mt-10 -52.42 -20.11 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 75.23 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.25 -30.47 25.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 75.04 110.246 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -90.75 -19.02 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 74.24 110.342 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.2 m -81.56 -43.1 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 73.55 109.328 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.54 -22.79 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.55 110.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.19 -57.73 6.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 75.14 109.301 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -49.83 -44.16 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 74.15 109.306 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 40.8 ttt180 -38.43 -38.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 73.35 110.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.44 -59.43 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 71.15 109.246 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -54.08 -23.48 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.496 1.122 . . . . 75.23 109.236 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -71.3 -32.91 69.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.04 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -100.91 -5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.54 110.336 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -107.25 -60.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.23 110.345 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.498 ' CG ' HD13 ' A' ' 53' ' ' LEU . 56.6 m-70 -119.59 78.23 20.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 74.54 109.6 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.44 11.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.514 1.797 . . . . 74.04 111.043 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -89.17 21.09 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 72.21 110.409 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -132.7 156.9 46.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 75.02 109.302 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 99' ' ' TYR . 16.3 mm -107.33 121.8 43.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 70.42 109.283 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.93 141.92 27.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 60.01 111.022 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.68 162.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 72.13 109.257 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.531 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.4 mm -136.39 96.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 73.34 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 67' ' ' ILE . 11.4 mt -94.85 121.91 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 71.31 109.321 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 50' ' ' THR . 6.5 mm-40 -127.63 174.85 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 73.35 110.314 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -85.02 131.7 34.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 73.24 110.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 2.1 t80 -53.79 136.55 39.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 72.52 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -58.04 103.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 73.55 109.271 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.07 20.19 14.71 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.5 1.125 . . . . 74.45 111.007 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.6 tm-20 -112.52 109.88 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 74.3 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -21.94 11.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 72.3 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 65.43 110.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' NE2' ' A' ' 77' ' ' GLN . 13.6 mt -54.76 148.44 26.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 74.32 109.252 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.46 8.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 74.43 111.011 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.44 107.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.0 109.356 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.3 145.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 72.3 109.316 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.416 ' N ' HD12 ' A' ' 47' ' ' LEU . 55.2 m-20 -44.37 -38.07 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 70.44 109.265 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -161.53 -169.75 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 64.03 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 36' ' ' GLU . 3.2 m -115.2 -32.71 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 64.23 110.435 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 15.5 mtmm -92.46 129.91 38.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 74.5 109.34 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.559 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 45.6 m-85 -140.87 136.31 32.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 72.04 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.585 HD23 ' CE3' ' B' ' 338' ' ' TRP . 6.0 mt -100.14 103.09 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 74.13 109.269 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 1.8 p -93.82 143.75 27.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 73.55 109.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.02 127.05 10.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 72.21 111.008 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.05 53.23 2.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 73.21 109.306 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.7 p-80 -154.61 28.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 74.42 109.54 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.19 -163.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 73.11 109.299 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.63 148.49 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 71.01 109.314 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.496 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.2 ppp? -47.11 -23.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 75.42 111.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.476 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -53.52 57.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 60.52 109.978 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' LYS . 15.7 mm-40 -42.3 -51.75 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 65.32 110.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 67' ' ' ILE . 1.4 tt -44.34 -46.03 9.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 75.35 109.237 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.404 ' N ' HD11 ' A' ' 64' ' ' ILE . 6.1 mm -58.92 -40.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 73.44 109.256 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 16.9 mtpp -69.74 -23.95 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 65.21 109.297 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' B' ' 342' ' ' SER . 15.8 mm -82.77 -34.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 73.3 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 9.4 mm -72.0 -69.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.11 109.354 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 65' ' ' LYS . 5.6 ptm180 -45.43 -34.43 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 75.11 110.262 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 1.4 mpt_? -62.13 -39.68 93.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 73.23 110.272 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.9 mtt-85 -69.57 -51.25 37.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 71.15 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . 26.5 mt -61.3 -19.76 62.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 72.23 109.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 39.74 43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 75.43 110.342 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 77' ' ' GLN . 2.4 mt -75.19 169.04 18.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 75.2 109.282 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -109.43 176.62 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 74.2 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.52 -40.36 71.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 64.32 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -56.0 -39.41 71.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 74.34 109.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.516 ' NE2' ' CD2' ' A' ' 44' ' ' LEU . 37.3 tp60 -92.46 125.5 37.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 75.3 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.44 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -103.27 136.08 43.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 75.3 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -129.29 134.77 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 75.54 111.032 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 117' ' ' GLU . 12.9 m-85 -143.48 117.46 9.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.471 1.107 . . . . 74.22 110.986 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.64 114.18 22.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 75.43 109.318 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.592 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -89.04 116.76 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 74.12 109.344 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.556 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 55.0 t -81.72 113.67 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 75.33 109.312 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 62.83 20.59 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 73.33 109.289 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.82 6.85 61.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 75.13 111.021 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 22.8 p80 -128.14 127.61 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 74.02 109.633 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.485 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 15.4 p -57.65 172.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 72.54 109.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -119.84 42.86 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 74.41 110.985 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.1 p -39.2 -30.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 72.21 109.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.7 t -118.85 105.09 11.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 61.44 110.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.496 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -109.91 87.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.24 109.286 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -126.84 19.81 7.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.42 110.065 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 21.5 m -130.11 144.82 54.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.01 110.394 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.06 138.16 22.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 74.22 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.47 -32.16 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 74.51 109.347 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.3 p -57.2 -43.02 82.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 73.11 109.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLU . 47.8 mt-10 -83.07 -54.66 4.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 74.43 110.274 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.402 HG13 ' CD ' ' A' ' 102' ' ' GLU . 5.2 t -41.6 -32.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 74.24 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 1.9 t80 -79.09 -46.5 17.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 73.42 110.989 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' GLU . 7.0 pt-20 -71.62 -4.73 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.24 110.313 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -111.35 -7.49 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 63.15 109.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.509 ' OE2' ' CG1' ' A' ' 83' ' ' VAL . 93.4 mt-10 -123.85 -58.35 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 75.1 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.78 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 74.0 110.336 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.07 -176.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 52.11 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ASP . 36.5 mm-40 -44.99 -50.44 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.25 110.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' GLU . 11.5 p-10 -39.33 -51.47 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.31 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.45 31.18 5.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 52.32 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -132.97 129.86 38.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 73.31 110.97 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ILE . 3.5 mt -78.44 139.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 71.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.468 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 87.0 m-85 -119.06 107.4 13.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 75.44 111.066 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.43 ' CE ' HD13 ' A' ' 109' ' ' LEU . 6.1 mtt -128.59 139.16 52.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 71.41 111.031 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.7 t -114.66 121.99 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 74.1 109.29 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 10.2 p90 -100.4 151.72 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.422 ' CA ' HD12 ' A' ' 44' ' ' LEU . . . -170.77 179.2 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 72.12 109.282 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.8 t -88.33 24.06 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 63.34 109.962 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.5 pt20 -144.48 124.78 13.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 70.45 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -107.03 -13.61 15.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.01 110.296 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 62.51 110.372 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.301 -0.629 . . . . 74.41 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.784 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 29.7 m0 -54.14 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.036 -1.098 . . . . 73.43 108.036 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.513 ' CG2' ' N ' ' B' ' 340' ' ' HIS . 0.6 OUTLIER -157.81 -169.53 2.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 1.103 . . . . 75.25 110.339 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . 0.513 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.86 117.82 12.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 75.33 109.597 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.49 HD22 ' CG2' ' B' ' 339' ' ' THR . 7.4 mt -93.67 84.38 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.23 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.486 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -84.77 136.42 33.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 63.13 110.056 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.34 8.72 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 65.44 110.043 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -33.19 10.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 73.3 109.303 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.1 -11.79 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 61.52 110.279 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.441 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 32.2 m -61.18 -170.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 74.23 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 64.45 109.286 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.7 t80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.588 0.232 . . . . 71.11 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -47.01 -42.28 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.23 110.323 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -69.1 -42.72 75.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 75.04 110.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -63.13 -27.01 69.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 74.24 110.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 106' ' ' ASP . 89.8 t -84.98 -39.37 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 73.55 109.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 74.55 110.303 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -55.15 -30.51 59.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 75.14 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 108' ' ' PHE . 9.8 t -76.89 -28.73 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 74.15 109.338 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.95 -37.39 84.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 73.35 110.31 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -75.16 -57.04 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 71.15 109.334 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.573 ' HB ' ' CZ2' ' B' ' 338' ' ' TRP . 1.2 tp -52.76 -27.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 75.23 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -72.33 -32.89 66.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 74.04 110.259 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.81 -4.51 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 75.54 110.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 34.0 mt-30 -112.06 -17.81 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.23 110.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.578 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 88.2 m-70 -160.6 68.37 2.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 74.54 109.535 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -26.38 10.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 74.04 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.1 p -86.52 12.15 11.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 72.21 110.503 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -126.03 164.37 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 75.02 109.343 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.572 HG23 ' CD2' ' A' ' 99' ' ' TYR . 34.2 mm -110.62 115.23 54.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 70.42 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -74.98 138.45 23.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 60.01 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.84 159.2 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 72.13 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.541 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.4 mm -132.91 95.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 73.34 109.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.466 ' CD1' HD12 ' A' ' 67' ' ' ILE . 8.0 mt -86.93 133.59 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 71.31 109.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -134.21 158.73 42.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 73.35 110.345 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -69.21 137.47 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 73.24 110.36 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.9 t80 -63.45 148.68 47.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 72.52 111.038 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 9.6 ptpt -62.38 96.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 73.55 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.2 24.53 7.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 74.45 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -84.9 116.05 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 74.3 110.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.91 -39.65 3.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 72.3 109.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 45.4 mm-40 -52.18 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 65.43 110.314 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 HD21 ' NE2' ' A' ' 77' ' ' GLN . 12.3 mt -54.62 139.54 59.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.32 109.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.54 31.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 74.43 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' LEU . 46.9 t -71.26 114.54 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 73.0 109.31 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -39.88 145.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 72.3 109.33 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -43.89 84.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 70.44 109.359 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 177.23 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 64.03 109.372 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.9 m -113.53 -18.94 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 64.23 110.396 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.546 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 11.9 mtmm -105.94 133.33 50.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 74.5 109.298 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 51' ' ' LYS . 5.8 m-85 -140.04 138.05 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 72.04 111.002 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.578 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 20.0 mt -106.14 103.16 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 74.13 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.2 p -95.48 143.85 26.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 73.55 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.97 130.32 13.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 72.21 110.942 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -79.55 53.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 73.21 109.249 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' ND1' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -154.13 22.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 74.42 109.634 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.418 HG11 ' ND1' ' A' ' 57' ' ' HIS . 27.5 m -137.39 -168.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 73.11 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.23 161.35 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 71.01 109.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.485 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.7 ppp? -58.17 -29.78 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 75.42 111.081 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 1.3 t -66.3 -42.51 88.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 60.52 110.032 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' B' ' 343' ' ' SER . 4.3 mt-10 -53.14 -32.61 48.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 65.32 110.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.95 -29.86 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 75.35 109.319 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 79' ' ' PHE . 7.4 mt -74.36 -48.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.44 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 22.3 mtmt -50.59 -25.6 4.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 65.21 109.314 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.44 HG12 ' CG1' ' B' ' 346' ' ' VAL . 44.3 mt -90.11 -55.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 73.3 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.68 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 6.9 mm -42.11 -46.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 74.11 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.401 ' CD ' ' HA ' ' A' ' 65' ' ' LYS . 28.8 ptt180 -60.49 -43.02 97.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.11 110.39 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' ILE . 5.8 mmm180 -59.24 -25.76 64.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 73.23 110.258 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -43.72 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 71.15 110.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 93.5 mt -67.04 -10.98 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 72.23 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 13.1 pt20 45.84 46.24 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 75.43 110.328 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -85.3 -172.4 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 75.2 109.384 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -116.85 -174.94 2.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 74.2 109.357 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.08 71.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.097 . . . . 64.32 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -68.62 -39.74 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.34 109.309 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.553 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 1.7 tm0? -60.65 143.66 53.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 75.3 110.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.553 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -120.45 131.69 54.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 75.3 109.298 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.68 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -131.53 119.82 22.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.566 1.167 . . . . 75.54 111.044 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -118.27 113.98 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 74.22 110.979 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -90.19 109.44 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 75.43 109.284 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 0.7 OUTLIER -87.97 114.46 24.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.12 109.328 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.6 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 2.5 t -83.33 109.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 75.33 109.212 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.3 m-20 71.24 6.1 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.33 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.67 3.36 30.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 75.13 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 22.7 p80 -123.43 129.89 51.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 74.02 109.583 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.459 ' CB ' ' CD ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -57.51 172.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 72.54 110.032 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.42 ' CB ' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -118.15 38.32 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 74.41 110.996 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.6 p -60.91 -13.91 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 72.21 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' SER . 77.8 p -117.13 28.91 8.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 61.44 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.4 OUTLIER -46.31 95.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 75.24 109.348 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.1 m -133.09 22.78 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.42 110.031 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.462 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 22.4 m -141.85 144.27 31.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 72.01 110.353 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.98 142.26 27.7 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.436 1.756 . . . . 74.22 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.08 -30.63 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.51 109.329 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.8 p -58.32 -45.23 88.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 73.11 109.988 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 20.0 mt-10 -81.62 -49.05 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.43 110.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 3.4 t -48.39 -25.83 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 74.24 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.58 ' CD2' HD22 ' A' ' 109' ' ' LEU . 8.6 t80 -80.18 -50.79 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.42 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -77.34 -3.61 40.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.24 110.287 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 m -110.59 3.62 19.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 63.15 110.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 6.6 mm-40 -137.38 -54.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 75.1 110.32 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.495 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 2.2 ppt_? -34.67 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 74.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.5 -175.14 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 52.11 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -46.69 -39.12 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 74.25 110.319 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -51.38 -50.44 59.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 72.31 109.284 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.03 17.33 20.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 52.32 111.035 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.764 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -119.02 135.14 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 73.31 110.99 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.55 140.31 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 71.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.14 108.71 11.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 75.44 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.71 136.42 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 71.41 111.02 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.556 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -107.43 130.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 74.1 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 1.7 p90 -105.13 160.96 14.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.08 168.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 72.12 109.356 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 t -89.2 21.65 3.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 63.34 110.083 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -145.79 119.15 8.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 70.45 110.278 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 7.3 tt0 -106.34 -7.17 17.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 74.01 110.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 62.51 110.413 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . 0.435 ' OD1' ' NE2' ' A' ' 27' ' ' HIS . 7.9 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.318 -0.623 . . . . 74.41 109.318 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.764 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.1 m0 -87.28 -153.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.978 -1.119 . . . . 73.43 107.978 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -95.02 159.45 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 75.25 110.389 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.28 128.86 55.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 75.33 109.653 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.22 123.04 42.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 73.23 109.335 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.13 139.07 51.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 63.13 110.016 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.467 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -99.07 23.93 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 65.44 110.012 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -112.06 -32.0 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 73.3 109.326 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.3 -10.75 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 61.52 110.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.44 ' CG1' HG12 ' A' ' 66' ' ' ILE . 17.6 m -65.28 175.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 74.23 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 64.45 109.323 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.561 0.219 . . . . 71.11 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -67.01 -60.55 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 75.23 110.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.36 -19.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.04 110.281 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.661 ' CZ ' ' CD2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -85.52 -47.74 9.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 74.24 110.338 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 106' ' ' ASP . 74.7 t -52.32 -38.47 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 73.55 109.306 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 30.0 tt0 -67.35 -45.93 74.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.55 110.247 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.56 -39.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 75.14 109.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -71.66 -46.7 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.399 1.062 . . . . 74.15 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 9.6 ttt85 -42.64 -27.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 73.35 110.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -70.63 -55.01 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 71.15 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.55 HD11 ' CD1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -64.67 -18.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 75.23 109.27 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -78.33 -32.87 49.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.04 110.33 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.01 -9.72 23.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 75.54 110.281 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 74.23 110.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.465 ' CG ' HD12 ' A' ' 53' ' ' LEU . 65.7 m-70 -126.76 73.02 75.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.54 109.572 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.65 12.69 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 74.04 111.016 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -84.96 10.95 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 72.21 110.394 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -125.31 159.54 31.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 75.02 109.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.578 HG21 ' CD2' ' A' ' 99' ' ' TYR . 18.4 mm -110.14 122.94 37.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 70.42 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.07 138.99 23.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 60.01 110.971 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.69 161.92 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.188 . . . . 72.13 109.211 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.1 mm -139.71 95.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 73.34 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 67' ' ' ILE . 6.5 mt -88.11 132.8 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 71.31 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -134.1 170.79 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.35 110.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.82 138.21 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 73.24 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.86 138.33 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 72.52 111.035 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 18.3 mtmm -57.28 95.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 73.55 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.76 20.31 7.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 74.45 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 9.2 tp10 -111.31 105.11 13.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 74.3 110.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -30.06 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 72.3 109.276 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -41.53 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 65.43 110.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 115' ' ' SER . 5.3 mt -54.84 150.47 18.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 74.32 109.244 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.402 ' O ' ' OH ' ' A' ' 113' ' ' TYR . 18.3 Cg_endo -74.98 167.55 26.81 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.428 1.751 . . . . 74.43 111.043 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.2 t -83.97 121.0 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 73.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.25 147.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 72.3 109.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.45 ' CG ' ' NZ ' ' A' ' 49' ' ' LYS . 31.6 t0 -50.19 -45.9 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 70.44 109.361 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.01 -174.13 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.607 1.192 . . . . 64.03 109.29 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.459 ' CG2' HG22 ' A' ' 34' ' ' ILE . 41.1 m -115.1 -32.96 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.619 1.199 . . . . 64.23 110.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 3.0 mtmm -91.83 132.41 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 74.5 109.286 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 46.3 m-85 -140.23 136.38 33.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 72.04 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.574 HD23 ' CE3' ' B' ' 338' ' ' TRP . 9.3 mt -103.17 102.99 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 74.13 109.306 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 1.9 p -94.21 143.79 26.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.55 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.86 126.04 9.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.472 1.775 . . . . 72.21 111.038 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -82.17 51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 73.21 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 7.2 p-80 -148.0 19.81 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 74.42 109.616 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.5 -161.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.11 109.262 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.57 149.91 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 71.01 109.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.469 ' SD ' ' C ' ' A' ' 60' ' ' MET . 1.1 ppp? -47.29 -26.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 75.42 110.999 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -55.53 -41.61 73.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 60.52 110.06 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' LEU . 9.2 mm-40 -56.16 -55.67 30.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 65.32 110.299 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 67' ' ' ILE . 1.9 tt -38.43 -41.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 75.35 109.336 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 79' ' ' PHE . 14.7 mm -58.25 -59.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 73.44 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.51 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 44.0 mtpt -52.3 -21.65 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 65.21 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' B' ' 342' ' ' SER . 12.2 mm -82.49 -35.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 73.3 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.642 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.9 mm -68.76 -69.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.11 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.51 ' CD ' ' HA ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -40.62 -28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 75.11 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmt180 -67.06 -45.56 77.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.23 110.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' ILE . 12.9 mmm180 -60.33 -50.35 73.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 71.15 110.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 3.5 mt -62.0 -24.11 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 72.23 109.262 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.8 pt20 46.18 41.7 9.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 75.43 110.269 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.69 -166.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 75.2 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.38 -175.12 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 74.2 109.308 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.44 -15.18 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 64.32 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -83.58 -20.14 34.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 74.34 109.256 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -91.35 134.98 34.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.3 110.341 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.74 129.5 49.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 75.3 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.642 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -130.77 135.2 47.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.54 110.946 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.52 125.95 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 74.22 110.995 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.425 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -92.64 120.59 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 75.43 109.318 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.2 mm? -96.69 106.09 18.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.127 . . . . 74.12 109.395 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.596 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 9.4 t -73.75 107.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 75.33 109.26 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 68.92 8.88 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 73.33 109.25 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.32 6.22 36.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 75.13 111.01 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 20.7 p80 -126.01 139.15 53.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 74.02 109.645 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.429 ' N ' HD11 ' A' ' 82' ' ' LEU . 6.5 p -57.55 167.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 72.54 110.005 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -123.94 18.18 9.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 74.41 111.013 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.455 ' CG1' ' OE1' ' A' ' 117' ' ' GLU . 3.1 m -47.24 -25.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 72.21 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' VAL . 91.7 p -102.81 39.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 61.44 109.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 88' ' ' MET . 0.2 OUTLIER -39.3 -83.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 75.24 109.353 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.455 ' N ' HG21 ' A' ' 91' ' ' VAL . 2.0 t 38.41 29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.42 110.028 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' VAL . 53.6 m -152.33 139.91 12.97 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 72.01 110.444 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' GLU . 18.5 Cg_endo -74.96 137.01 21.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 74.22 111.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -44.53 -32.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 74.51 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.0 p -57.64 -44.96 85.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 73.11 110.041 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' PRO . 37.4 mt-10 -77.33 -50.69 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 74.43 110.266 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.19 -35.32 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 74.24 109.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.582 ' CD2' HD21 ' A' ' 109' ' ' LEU . 2.1 t80 -78.72 -38.81 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 73.42 111.011 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.24 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -118.44 5.5 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.15 110.024 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 103' ' ' ARG . 32.5 mm-40 -133.46 -52.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.1 110.326 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -34.59 146.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 74.0 110.303 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 -175.04 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 52.11 109.255 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -46.89 -43.87 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 74.25 110.221 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.491 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 17.9 p-10 -54.54 -47.06 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 72.31 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 99' ' ' TYR . . . 107.53 9.33 29.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 52.32 111.019 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.661 ' CD2' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -99.87 145.57 27.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 0.825 . . . . 73.31 111.02 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.582 HD21 ' CD2' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -95.42 134.1 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 71.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -114.16 112.32 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.44 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.1 mtt -133.33 131.18 39.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 71.41 111.006 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 6.3 t -103.32 128.94 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 74.1 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 45' ' ' PRO . 9.1 p90 -108.8 150.72 27.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 73.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -170.74 178.14 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.378 1.049 . . . . 72.12 109.326 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.526 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.9 t -90.92 32.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 63.34 110.02 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -149.58 132.52 16.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 70.45 110.312 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 4.6 tt0 -119.18 -6.64 10.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 74.01 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 62.51 110.406 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.349 -0.612 . . . . 74.41 109.349 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.574 ' CE3' HD23 ' A' ' 53' ' ' LEU . 3.2 m0 -74.23 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 73.43 108.05 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.499 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -93.62 162.89 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 75.25 110.45 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -112.01 129.78 56.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 75.33 109.614 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 7.9 mt -102.81 109.1 20.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 73.23 109.318 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -111.16 132.17 54.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 63.13 109.986 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' B' ' 343' ' ' SER . 2.2 t -92.87 15.58 14.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 65.44 110.019 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -101.44 -26.45 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 73.3 109.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.96 -1.36 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 61.52 110.264 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 17.8 m -71.01 -175.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 74.23 109.341 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 64.45 109.365 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.492 0.187 . . . . 71.11 111.048 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 89.8 mt-10 -52.18 -20.15 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 75.23 110.249 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -84.9 -30.34 24.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 75.04 110.269 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -90.68 -18.33 25.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 74.24 110.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.3 m -82.26 -39.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.55 109.319 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -64.31 -24.4 67.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 74.55 110.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 38.0 t0 -64.27 -61.38 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 75.14 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -50.54 -44.88 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 74.15 109.276 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 42.1 ttt180 -43.36 -33.7 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 73.35 110.255 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 2.3 mt -64.69 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 71.15 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.57 HD12 ' CD1' ' B' ' 338' ' ' TRP . 1.2 mp -56.32 -22.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.578 1.173 . . . . 75.23 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -29.37 63.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 74.04 110.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -100.66 -18.66 16.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 75.54 110.184 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -98.3 -54.92 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 74.23 110.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' HD11 ' A' ' 53' ' ' LEU . 11.8 m-70 -117.37 79.94 12.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.54 109.61 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.5 7.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 74.04 110.992 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.404 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 67.4 p -89.74 28.59 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.21 110.443 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HG2' ' C ' ' A' ' 29' ' ' THR . 11.5 mmtp -136.35 151.83 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 75.02 109.266 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 99' ' ' TYR . 46.2 mm -99.24 111.9 62.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 70.42 109.338 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.554 ' HD2' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.99 133.96 17.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 60.01 111.025 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.48 156.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 72.13 109.295 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.529 HG12 ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -132.6 99.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.34 109.352 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 mt -92.82 128.5 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 71.31 109.294 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' OE1' ' CG2' ' A' ' 50' ' ' THR . 15.9 mm-40 -126.19 171.57 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.35 110.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -80.53 136.33 36.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 73.24 110.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.573 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 12.2 t80 -65.3 145.06 56.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 72.52 110.964 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 mtmp? -69.25 96.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.55 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.92 7.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.57 1.169 . . . . 74.45 110.994 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.9 tm-20 -109.33 106.51 16.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 74.3 110.303 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -35.77 4.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 72.3 109.309 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -39.05 -73.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 65.43 110.368 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 115' ' ' SER . 2.7 mt -60.08 149.48 74.39 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.52 1.137 . . . . 74.32 109.25 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.29 27.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 74.43 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.94 136.62 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 73.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 152.33 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 72.3 109.242 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 1.1 t0 -67.51 -37.39 82.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 70.44 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -127.43 -170.03 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 64.03 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.424 ' CG2' ' OE1' ' A' ' 36' ' ' GLU . 73.4 m -122.49 -38.79 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 64.23 110.345 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.567 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -106.34 150.12 26.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.5 109.22 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 10.8 m-85 -140.0 145.41 37.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.1 . . . . 72.04 110.948 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD11 ' CG ' ' A' ' 27' ' ' HIS . 31.0 mt -102.81 104.23 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 74.13 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.2 t -90.77 142.32 27.63 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 73.55 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.511 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -74.97 127.11 10.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 72.21 110.99 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 12.5 p-10 -75.83 59.32 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.21 109.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' NE2' ' HB2' ' A' ' 55' ' ' PRO . 10.4 p80 -165.36 30.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 74.42 109.58 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -147.35 -162.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 73.11 109.311 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.09 164.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 71.01 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.502 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 3.1 ppp? -57.98 -29.12 64.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 75.42 111.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.471 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 60.52 110.047 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 46.9 mm-40 -43.09 -54.42 4.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 65.32 110.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.3 tp -39.94 -43.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.41 1.069 . . . . 75.35 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 3.6 mt -68.34 -46.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 73.44 109.322 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLU . 27.1 mtpp -51.76 -24.62 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 65.21 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD13 ' CG1' ' B' ' 346' ' ' VAL . 1.8 mm -89.51 -39.85 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 73.3 109.262 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.519 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.7 mm -58.89 -66.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.11 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.408 ' NH2' HG23 ' A' ' 64' ' ' ILE . 14.9 ptp180 -47.53 -28.22 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.11 110.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -36.35 67.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.23 110.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -71.5 -42.41 68.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 71.15 110.333 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 64.6 mt -73.35 -5.18 38.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 72.23 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 23.8 pt20 45.64 41.04 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 75.43 110.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 77' ' ' GLN . 28.1 mt -71.89 172.85 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 75.2 109.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -122.1 -176.07 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.2 109.294 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.53 -12.64 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 64.32 109.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' A' ' 76' ' ' ASN . 1.1 p-10 -86.74 -27.69 23.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.34 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 52.4 tp60 -87.63 142.32 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 75.3 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.3 146.87 34.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 75.3 109.312 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.576 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -156.88 145.01 19.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 75.54 110.996 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.485 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 63.9 m-85 -143.31 122.7 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 74.22 111.032 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -85.92 109.53 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 75.43 109.311 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.5 mm? -88.48 108.14 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.12 109.29 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.581 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 12.1 t -77.93 111.08 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 75.33 109.265 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 66.96 10.65 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.33 109.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.63 40.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 75.13 111.035 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.581 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 8.7 p80 -129.05 137.42 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 74.02 109.543 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.425 ' N ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -57.96 170.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 72.54 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.41 ' HB3' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -115.69 20.71 14.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 74.41 110.962 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 90' ' ' SER . 3.6 m -42.2 128.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 72.21 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' SER . 8.0 m 73.36 38.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 61.44 110.022 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.502 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.51 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.24 109.266 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.6 m -120.31 11.86 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.42 109.977 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.8 m -127.85 128.62 23.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.01 110.397 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.06 143.82 29.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 74.22 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -27.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.51 109.323 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.9 t -63.75 -44.87 92.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.11 109.973 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 30.0 mm-40 -82.52 -49.91 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.43 110.328 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.492 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 24.2 t -48.29 -25.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 74.24 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.579 ' CD1' HD21 ' A' ' 109' ' ' LEU . 46.9 t80 -79.6 -49.84 11.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 73.42 111.009 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -78.93 -3.31 44.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.07 . . . . 74.24 110.306 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.9 m -112.79 4.82 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 63.15 110.035 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 7.5 mm-40 -138.07 -52.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 75.1 110.365 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 7.4 ppt_? -34.77 151.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 74.0 110.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER -116.91 -174.51 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 52.11 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' ASP . 22.5 mt-10 -37.0 -56.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 74.25 110.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.45 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -44.92 -48.64 11.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 72.31 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 103.2 -0.32 47.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 52.32 111.035 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.777 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -96.84 135.38 38.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 0.8 . . . . 73.31 110.92 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.33 136.1 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.0 109.222 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -121.29 113.99 20.71 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 75.44 110.986 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.6 mtt -136.65 142.45 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 71.41 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.573 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 7.1 t -110.44 141.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 74.1 109.357 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.438 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 4.5 p90 -118.98 152.71 35.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -173.0 178.34 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 72.12 109.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.68 30.5 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 63.34 109.919 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -150.01 130.23 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 70.45 110.292 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.485 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 3.1 tt0 -111.94 -12.14 13.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 74.01 110.261 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 62.51 110.414 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.245 -0.65 . . . . 74.41 109.245 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.777 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -94.92 -154.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 73.43 108.009 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 14.6 t -89.86 147.17 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 75.25 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.5 114.99 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.33 109.548 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . . . . . . . . . 6.4 mt -78.17 112.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 73.23 109.354 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 343' ' ' SER . 0.8 OUTLIER -70.48 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 63.13 109.994 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' B' ' 342' ' ' SER . 1.1 m 86.82 -9.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 65.44 109.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -28.04 15.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 73.3 109.325 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.53 -6.77 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 61.52 110.321 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' B' ' 343' ' ' SER . 22.8 m -64.94 175.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 74.23 109.25 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 64.45 109.304 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.1 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.494 0.187 . . . . 71.11 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -38.87 1.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 75.23 110.328 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -74.99 -40.54 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.04 110.298 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' PHE . 26.5 mtp85 -64.85 -27.02 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 74.24 110.362 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.1 t -76.53 -32.88 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.55 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.63 -35.74 45.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.55 110.272 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 75.14 109.235 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -56.76 -40.89 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 74.15 109.305 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -40.23 -35.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 73.35 110.243 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -50.78 63.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 71.15 109.32 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.527 HD12 ' CD1' ' B' ' 338' ' ' TRP . 1.1 tp -65.6 -24.18 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 75.23 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -32.77 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.04 110.281 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.53 -19.56 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 75.54 110.235 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -90.94 -58.8 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 74.23 110.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -119.91 79.1 24.34 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 74.54 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.23 6.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 74.04 110.98 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.99 30.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.21 110.347 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -136.03 149.77 48.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 75.02 109.354 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 20.4 mm -98.34 112.76 62.99 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 70.42 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.0 Cg_endo -75.04 139.19 23.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 60.01 110.993 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.29 161.49 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 72.13 109.331 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.455 ' CG2' ' OE1' ' A' ' 36' ' ' GLU . 2.8 mm -129.79 101.81 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 73.34 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.56 ' HB ' ' CE1' ' A' ' 52' ' ' PHE . 2.5 mm -86.27 118.95 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 71.31 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' OE1' ' CG2' ' A' ' 34' ' ' ILE . 34.4 mt-10 -125.76 154.66 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.35 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -71.68 137.94 48.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 73.24 110.366 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.532 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 1.2 t80 -62.37 145.18 54.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 72.52 110.984 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -59.19 98.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.55 109.327 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.84 13.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 74.45 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -86.32 104.84 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 74.3 110.353 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -112.0 -28.85 7.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 72.3 109.278 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.41 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 71.1 mt-30 -62.21 -74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 65.43 110.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 115' ' ' SER . 2.5 mm? -54.56 150.96 15.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.32 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.96 179.52 5.99 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.527 1.803 . . . . 74.43 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.6 19.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.0 109.288 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.41 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.2 OUTLIER 59.03 155.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 72.3 109.256 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -7.83 55.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 70.44 109.234 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 159.87 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 64.03 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 35' ' ' ILE . 3.1 m -105.73 -26.67 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 64.23 110.359 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 11.0 mtmm -93.27 138.2 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.5 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 67' ' ' ILE . 14.2 m-85 -139.88 148.1 41.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 72.04 111.066 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD23 ' CG1' ' A' ' 23' ' ' ILE . 26.4 mt -119.04 104.38 10.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 74.13 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.3 t -91.98 141.99 25.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 73.55 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.53 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 18.1 Cg_endo -75.03 136.27 20.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 72.21 110.974 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.2 p-10 -83.98 49.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 73.21 109.352 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.8 p80 -155.85 27.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 74.42 109.592 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 m -143.0 -160.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 73.11 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -121.93 158.54 28.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 71.01 109.208 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.493 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.5 ppp? -54.45 -21.86 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 75.42 111.022 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.464 ' CB ' HG23 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -62.56 -29.92 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 60.52 110.038 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.27 -61.06 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 65.32 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' A' ' 67' ' ' ILE . 3.2 tp -44.17 -28.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.35 109.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 1.8 mm -73.65 -54.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 73.44 109.293 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 42.3 mttt -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 65.21 109.311 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' B' ' 341' ' ' LEU . 2.7 mm -77.8 -60.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.3 109.318 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.569 HD11 ' CE2' ' A' ' 52' ' ' PHE . 16.0 mm -43.4 -61.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.11 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.535 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 22.9 ptt180 -50.42 -40.49 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 75.11 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 3.9 mmt180 -66.58 -31.41 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.23 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -34.28 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 71.15 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.449 ' CD2' ' HG2' ' A' ' 45' ' ' PRO . 2.7 mt -81.8 -19.38 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 72.23 109.356 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' CG ' ' C ' ' A' ' 71' ' ' LEU . 7.9 pt20 40.21 44.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.43 110.271 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.49 176.72 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 75.2 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -112.0 166.78 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 74.2 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.02 -43.67 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 64.32 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -50.66 -36.14 34.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.34 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -89.13 138.19 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 75.3 110.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.59 138.86 45.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 75.3 109.265 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 2.1 t80 -130.97 127.63 38.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.54 111.068 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CE1' ' OE1' ' A' ' 117' ' ' GLU . 18.3 m-85 -134.13 116.29 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.22 110.963 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.515 ' HB3' ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -90.49 123.26 34.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 75.43 109.239 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.51 116.12 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.12 109.275 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.582 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.5 t -84.78 109.56 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.33 109.308 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.57 10.41 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.33 109.345 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.85 4.79 45.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.147 . . . . 75.13 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.5 p80 -127.02 131.07 51.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 74.02 109.64 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.42 ' N ' HD12 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.53 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 72.54 109.991 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -113.62 41.64 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 74.41 111.01 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.1 m -38.38 -31.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 72.21 109.282 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.8 m -123.74 102.62 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 61.44 110.058 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.493 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -108.01 88.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 75.24 109.278 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -127.08 18.51 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.42 110.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 15.5 m -128.02 145.14 54.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.01 110.467 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.0 138.47 23.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 74.22 110.978 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.06 -25.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 74.51 109.336 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 79.1 p -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 73.11 110.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' PRO . 36.9 mt-10 -80.88 -54.6 5.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 74.43 110.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 7.4 t -43.37 -31.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 74.24 109.312 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 1.3 t80 -81.09 -45.42 16.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.42 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.32 -4.36 29.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 74.24 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -112.89 -6.99 13.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 63.15 109.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ARG . 14.2 mm-40 -124.79 -57.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.1 110.304 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -36.77 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.0 110.264 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 1.1 m-20 -102.58 -178.86 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 52.11 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.41 -42.55 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.25 110.308 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.427 ' OD1' ' CB ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -44.75 -45.96 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 72.31 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.67 13.65 29.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 52.32 111.024 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.787 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -115.35 130.93 57.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 73.31 110.972 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ILE . 2.5 mt -83.37 141.35 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 71.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.12 112.49 20.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 75.44 111.023 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 19.6 mtt -124.31 152.84 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 71.41 110.955 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.532 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.6 t -129.05 127.08 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.378 1.049 . . . . 74.1 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -115.67 154.65 29.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 73.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.03 179.75 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 72.12 109.295 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.477 ' CB ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -87.15 23.56 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 63.34 109.997 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -148.59 149.71 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 70.45 110.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 4.9 tt0 -123.86 -1.43 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 74.01 110.231 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 62.51 110.415 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.329 -0.619 . . . . 74.41 109.329 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 5.8 m0 -62.93 -153.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 73.43 108.043 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 339' ' ' THR . . . . . 0.474 ' CG2' ' CD2' ' B' ' 341' ' ' LEU . 0.6 OUTLIER -85.83 -171.14 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.25 110.377 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 340' ' ' HIS . . . . . 0.442 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -137.95 115.87 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 75.33 109.615 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 341' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.1 OUTLIER -89.58 97.14 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 73.23 109.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -97.85 121.37 39.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 63.13 110.014 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 2.6 p -78.01 -1.07 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 65.44 110.021 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 344' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -92.13 -27.22 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 73.3 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.64 -1.89 44.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 61.52 110.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 3.6 m -81.5 178.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 74.23 109.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 20.3 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 64.45 109.36 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.013 -0.366 . . . . 63.31 110.013 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mmm -39.04 99.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 74.03 110.967 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.84 36.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 72.22 110.986 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -119.03 -58.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 60.34 109.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -81.02 148.58 29.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 71.45 110.291 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -64.84 167.83 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 74.11 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.493 ' OG1' ' CE ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -109.61 151.12 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 71.24 110.359 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.539 ' CZ ' ' HG3' ' A' ' 36' ' ' GLU . 7.0 m-85 -48.45 -22.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.3 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.493 ' CE ' ' OG1' ' A' ' 6' ' ' THR . 1.5 ptpt -81.4 -36.02 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.23 109.335 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 5.9 mm100 -89.96 -64.06 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 60.23 110.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.1 tpt180 -38.5 -79.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 73.14 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 9.5 mpt_? -47.09 130.27 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 72.24 110.324 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 116.93 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 61.51 109.971 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 -37.98 -63.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 71.11 110.991 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -43.68 -43.41 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 75.23 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 15' ' ' GLN . 4.2 mp0 -69.57 -34.81 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 75.04 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' PHE . 16.1 tpp180 -77.03 -17.39 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.24 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 106' ' ' ASP . 71.3 t -87.82 -42.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 73.55 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -61.47 -48.79 79.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.55 110.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.32 -36.51 6.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 75.14 109.319 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.522 HG22 ' CD2' ' A' ' 108' ' ' PHE . 2.4 t -69.95 -44.54 78.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 74.15 109.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -38.71 -48.31 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 73.35 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -54.71 -55.93 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 71.15 109.319 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.498 HD12 ' CG ' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -60.1 -25.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 75.23 109.357 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -76.75 -34.25 58.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 74.04 110.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -96.73 -4.93 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 75.54 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 33.1 mt-30 -113.71 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 74.23 110.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 8.5 m-70 -117.49 80.54 13.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 74.54 109.619 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -31.42 6.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 74.04 111.015 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 p -90.09 29.62 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.21 110.35 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -134.7 145.64 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 75.02 109.287 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.5 HG21 ' CG ' ' A' ' 99' ' ' TYR . 14.2 mm -99.64 117.75 63.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 70.42 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -75.0 138.78 23.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 60.01 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.61 153.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 72.13 109.274 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.562 HG12 ' CE1' ' A' ' 108' ' ' PHE . 25.1 mm -122.11 98.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 73.34 109.262 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CD1' HD13 ' A' ' 67' ' ' ILE . 20.3 mt -96.37 125.88 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 71.31 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' CZ ' ' A' ' 7' ' ' PHE . 9.0 mm-40 -142.69 162.03 36.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.35 110.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.71 141.28 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 73.24 110.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.85 139.08 56.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 72.52 110.992 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 8.2 mtmp? -55.26 94.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 73.55 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.06 19.85 7.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 74.45 111.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' CD ' ' CB ' ' A' ' 114' ' ' ALA . 8.7 tp10 -84.81 115.13 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 0.731 . . . . 74.3 110.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -113.73 -12.54 12.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 72.3 109.283 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -74.13 -86.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 65.43 110.275 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 HD13 ' CA ' ' A' ' 114' ' ' ALA . 19.4 mt -54.77 143.91 48.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 74.32 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.813 . . . . 74.43 111.008 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 p -73.63 115.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 73.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 113' ' ' TYR . 0.1 OUTLIER -40.36 150.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 72.3 109.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 70.44 109.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -132.81 165.7 23.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 64.03 109.275 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -102.68 -33.71 9.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 64.23 110.392 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HB3' ' CE3' ' B' ' 338' ' ' TRP . 22.2 mtmm -96.05 137.71 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 74.5 109.296 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -139.05 130.28 26.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 72.04 110.999 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.558 HD21 ' CE3' ' B' ' 338' ' ' TRP . 3.5 mt -95.42 104.17 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 74.13 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.5 t -91.48 141.63 26.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 73.55 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.99 135.38 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 72.21 111.021 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.5 p-10 -87.11 46.01 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.21 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CE1' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.17 21.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.42 109.625 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.422 ' CG1' ' CE1' ' A' ' 57' ' ' HIS . 35.0 m -137.15 -167.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 73.11 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -115.22 150.75 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.01 109.338 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.491 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.8 ppp? -44.73 -28.08 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 75.42 111.017 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.463 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -55.54 -50.8 69.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 60.52 109.993 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 11.1 mm-40 -43.65 -57.4 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 65.32 110.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 8.6 tp -40.38 -38.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 75.35 109.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 64' ' ' ILE . 5.8 mm -63.05 -64.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 73.44 109.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.67 -22.86 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 65.21 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' B' ' 341' ' ' LEU . 2.7 mm -78.45 -47.04 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 73.3 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 14.6 mm -55.87 -55.37 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 74.11 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 14.0 mtp180 -40.58 -49.45 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 75.11 110.34 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' NH1' ' H ' ' B' ' 347' ' ' ASP . 8.7 mmp_? -53.5 -43.34 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.23 110.32 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -64.21 -53.35 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 71.15 110.32 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' HD23 ' A' ' 47' ' ' LEU . 60.1 mt -66.72 -16.74 64.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 72.23 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' ARG . 24.8 pt20 38.57 56.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 75.43 110.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 mt -88.99 169.08 11.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 75.2 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -89.84 173.12 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 74.2 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.06 -8.19 53.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 64.32 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -92.31 -34.63 14.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 74.34 109.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -66.05 146.99 54.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.3 110.34 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -111.49 126.5 55.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.3 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -134.16 135.37 43.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 75.54 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.486 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 21.6 m-85 -143.23 117.08 9.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 74.22 110.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.479 ' CD1' HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -85.71 116.39 23.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 75.43 109.277 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -91.32 120.0 31.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.12 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.499 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 2.7 t -86.51 111.9 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 75.33 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.425 ' ND2' ' OE1' ' A' ' 102' ' ' GLU . 1.5 m-20 69.2 11.32 8.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 73.33 109.244 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.17 5.6 49.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 75.13 110.996 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 22.4 p80 -126.35 130.09 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 74.02 109.6 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.43 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 0.1 OUTLIER -57.73 172.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 72.54 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.51 41.33 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 74.41 110.985 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -39.41 -30.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 72.21 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 m -120.59 103.21 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 61.44 110.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.491 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -107.48 89.65 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 75.24 109.266 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.2 m -127.25 16.42 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 74.42 109.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 3.0 m -127.68 146.43 58.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 72.01 110.39 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.02 143.22 28.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 74.22 110.976 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -52.25 -21.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.51 109.321 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.4 p -70.63 -41.05 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.11 110.024 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' SER . 10.9 mm-40 -82.1 -52.32 7.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 74.43 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.454 HG23 ' CG2' ' A' ' 93' ' ' THR . 3.2 t -45.98 -30.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 74.24 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CG ' HG21 ' A' ' 31' ' ' ILE . 3.6 t80 -75.26 -56.44 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.42 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -71.79 -4.6 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 74.24 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.8 m -104.37 -3.43 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 63.15 109.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 14.8 mm-40 -134.32 -59.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 75.1 110.263 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 3.2 ppt_? -38.33 157.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 74.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -105.73 177.6 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 52.11 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -45.95 -33.47 3.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 74.25 110.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.489 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -45.87 -45.67 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 72.31 109.291 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.43 27.49 10.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 52.32 110.97 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -137.85 128.16 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 73.31 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.443 HD13 ' CE ' ' A' ' 111' ' ' MET . 4.5 mt -78.86 152.84 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 67.6 m-85 -134.92 107.44 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.44 110.986 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.443 ' CE ' HD13 ' A' ' 109' ' ' LEU . 7.5 mtt -124.85 143.01 51.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 71.41 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.6 t -115.54 123.19 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 74.1 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 47' ' ' LEU . 13.4 p90 -103.21 152.44 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 73.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.458 ' CA ' HD13 ' A' ' 44' ' ' LEU . . . -171.48 177.3 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 72.12 109.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.0 t -91.58 29.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 63.34 109.99 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -149.87 120.67 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 70.45 110.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 5.4 tt0 -105.99 -6.4 18.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 74.01 110.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 46.9 p -132.52 52.8 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 62.51 110.411 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 120' ' ' GLY . 53.3 p90 -90.88 -27.33 18.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 75.13 111.026 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 75.54 111.015 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.499 0.19 . . . . 72.43 111.008 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 2.8 t -123.6 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 65.52 110.019 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -92.28 16.26 60.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 71.33 111.037 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.25 165.77 28.14 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.019 -0.832 . . . . 53.43 111.019 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.06 63.0 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 71.13 109.279 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.1 -46.98 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.32 109.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -153.46 126.56 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 74.41 109.306 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.755 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 6.7 m0 -69.64 -151.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 73.43 108.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.475 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 3.6 m -91.32 157.37 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.25 110.395 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 121.51 43.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 75.33 109.549 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.1 OUTLIER -96.16 84.0 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 73.23 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.466 ' HB3' ' CE ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -93.54 130.57 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 63.13 110.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.81 9.75 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 65.44 109.999 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.466 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.06 -23.24 16.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 73.3 109.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.32 -0.66 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 61.52 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 4.4 m -77.43 167.96 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 74.23 109.271 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . 0.407 ' H ' ' NH1' ' A' ' 69' ' ' ARG . 31.2 t70 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.45 109.322 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.009 -0.367 . . . . 63.31 110.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.6 OUTLIER -153.01 144.85 16.67 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 74.03 111.074 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.97 -34.25 4.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 72.22 110.98 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -123.92 141.21 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 60.34 109.938 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 8.9 tp10 -103.82 132.23 50.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 71.45 110.366 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' CB ' ' HB2' ' A' ' 10' ' ' ARG . 74.8 mttt -52.07 176.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 74.11 109.307 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 39' ' ' LYS . 71.5 p -117.98 152.32 35.72 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.474 1.109 . . . . 71.24 110.407 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.589 ' CE1' ' OE2' ' A' ' 36' ' ' GLU . 18.3 m-85 -47.09 -23.57 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.3 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' CG ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -79.31 -39.11 33.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 74.23 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.4 mm100 -92.99 -66.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 60.23 110.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HB2' ' CB ' ' A' ' 5' ' ' LYS . 22.0 tpt180 -40.35 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 73.14 110.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' HG2' ' NE ' ' A' ' 16' ' ' ARG . 6.3 mpt_? -58.66 138.85 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 72.24 110.37 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 2.2 m -64.89 127.16 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 61.51 110.001 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -47.78 -58.61 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 71.11 111.045 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.463 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -52.51 -19.62 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 75.23 110.229 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 tt0 -75.79 -41.28 53.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 75.04 110.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' NE ' ' HG2' ' A' ' 11' ' ' ARG . 2.3 mpt_? -79.47 -49.47 12.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 74.24 110.378 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' CG1' ' CB ' ' A' ' 106' ' ' ASP . 3.2 m -44.0 -41.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 73.55 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.84 -44.44 93.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 74.55 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' CG ' ' NZ ' ' A' ' 51' ' ' LYS . 2.4 t0 -54.12 -33.34 57.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 75.14 109.233 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.536 HG21 ' CD2' ' A' ' 108' ' ' PHE . 2.6 t -69.37 -44.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.15 109.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' VAL . 39.3 ttt85 -38.62 -41.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.35 110.258 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -68.23 -61.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 71.15 109.341 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.567 ' HB ' ' CZ2' ' B' ' 338' ' ' TRP . 1.1 tp -46.95 -25.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 75.23 109.3 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 8.5 mmm180 -79.71 -39.19 31.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 74.04 110.303 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.9 pt-20 -89.37 -4.38 58.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 75.54 110.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LEU . 66.2 mt-30 -111.25 -56.87 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.23 110.339 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.584 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 23.2 m-70 -117.64 80.09 13.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 74.54 109.633 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.94 -31.28 6.44 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.551 1.817 . . . . 74.04 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 p -90.18 28.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 72.21 110.415 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -136.13 147.19 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 75.02 109.274 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.492 HG21 ' CD2' ' A' ' 99' ' ' TYR . 29.6 mm -100.0 117.11 63.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 70.42 109.295 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.571 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.4 Cg_endo -74.94 138.41 23.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 60.01 110.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.42 156.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 72.13 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 108' ' ' PHE . 25.4 mm -128.58 95.49 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 73.34 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.6 mt -93.84 120.35 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 71.31 109.335 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.589 ' OE2' ' CE1' ' A' ' 7' ' ' PHE . 2.2 mm-40 -128.47 166.93 17.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 73.35 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 ptt85 -77.26 138.89 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 73.24 110.385 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.06 139.13 55.27 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.569 1.168 . . . . 72.52 111.004 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 22.6 mtmm -57.32 96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 73.55 109.244 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.91 17.65 8.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 74.45 111.03 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.5 tp10 -105.66 107.3 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 74.3 110.258 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -31.31 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 72.3 109.219 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.424 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.9 mm-40 -39.17 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 65.43 110.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 115' ' ' SER . 2.8 mt -58.41 151.68 48.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.32 109.289 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 165.12 32.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 74.43 111.093 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' LEU . 2.6 p -73.71 114.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 73.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.26 141.89 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 72.3 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 49' ' ' LYS . 2.6 m-20 -40.55 -39.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 70.44 109.244 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -159.3 -171.14 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 64.03 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.5 -28.45 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 64.23 110.388 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 6.7 mtmt -90.61 130.13 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 74.5 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -140.18 136.9 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 72.04 110.986 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.584 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 8.9 mt -105.07 103.16 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 74.13 109.233 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.486 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.1 p -95.84 143.85 26.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.441 1.088 . . . . 73.55 109.3 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.98 130.42 13.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 72.21 110.974 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.34 52.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.21 109.266 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CE1' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.57 21.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 74.42 109.622 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.441 HG11 ' CE1' ' A' ' 57' ' ' HIS . 34.1 m -138.28 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 73.11 109.344 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.416 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -110.98 162.18 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 71.01 109.276 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.498 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.6 ppp? -58.89 -25.18 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 75.42 111.041 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 64' ' ' ILE . 0.9 OUTLIER -58.7 -50.56 73.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 60.52 110.052 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' LYS . 11.0 mm-40 -42.28 -52.48 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.32 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 HD11 ' CG1' ' A' ' 67' ' ' ILE . 4.8 tp -47.4 -39.89 16.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.35 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' SER . 8.1 mm -59.46 -39.61 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 73.44 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 68.9 mttt -72.9 -37.98 67.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 65.21 109.225 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' B' ' 342' ' ' SER . 15.5 mm -66.37 -30.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 73.3 109.299 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 20.1 mm -77.1 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 74.11 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -44.71 -40.45 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 75.11 110.268 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 5.1 mmt180 -61.04 -37.42 82.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 73.23 110.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.0 mtt85 -69.02 -49.09 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 71.15 110.307 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.57 -17.5 55.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 72.23 109.27 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 38.85 50.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 75.43 110.273 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 44' ' ' LEU . 2.2 mt -79.52 -178.52 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 75.2 109.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.67 174.79 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 74.2 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.41 -24.24 62.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 64.32 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -77.58 -38.09 49.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.34 109.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.566 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 1.7 tm0? -64.97 143.48 57.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 75.3 110.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.566 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -112.61 139.79 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 75.3 109.337 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -142.29 137.05 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 75.54 111.025 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -143.16 134.93 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 74.22 110.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.31 114.24 26.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 75.43 109.306 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.2 mm? -92.49 109.69 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 74.12 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.599 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 3.9 t -80.4 111.86 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.33 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.6 OUTLIER 69.4 8.42 6.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 73.33 109.325 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 11.41 35.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.456 1.098 . . . . 75.13 110.926 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 15.3 p80 -132.35 142.97 49.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 74.02 109.675 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.15 166.58 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 72.54 109.976 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.8 11.67 18.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 74.41 111.029 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.7 p -39.96 135.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 72.21 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.8 OUTLIER 86.44 21.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 61.44 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.498 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -38.72 99.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 75.24 109.321 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.1 m -132.36 15.52 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.42 109.995 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 90.1 m -130.11 143.27 48.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 72.01 110.383 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.01 144.51 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 74.22 110.95 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -54.55 -20.84 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.51 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.2 p -67.0 -38.25 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.11 109.955 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 100' ' ' GLU . 40.5 mt-10 -89.39 -51.67 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 74.43 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.1 t -42.77 -36.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 74.24 109.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.573 ' CD2' HD22 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.75 -37.23 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 73.42 111.012 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 pt-20 -79.49 -4.02 49.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 74.24 110.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.45 5.81 13.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.15 110.045 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ARG . 10.2 mm-40 -135.49 -51.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 75.1 110.344 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.6 ppt_? -36.22 153.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 74.0 110.238 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -110.16 -179.41 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 52.11 109.277 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -38.71 -53.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.25 110.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.464 ' CB ' ' CG1' ' A' ' 17' ' ' VAL . 23.6 p-10 -44.65 -49.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 72.31 109.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 101.67 23.84 9.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 52.32 111.026 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.732 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.64 131.28 56.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 0.765 . . . . 73.31 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.29 141.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 71.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.401 ' OH ' ' OD2' ' A' ' 106' ' ' ASP . 93.9 m-85 -126.42 107.58 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 75.44 110.984 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.7 mtt -131.39 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 71.41 111.038 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 3.7 t -103.82 134.49 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 74.1 109.358 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 2.7 p90 -112.9 143.92 43.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 73.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -156.71 178.36 10.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 72.12 109.27 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.551 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 30.2 t -88.77 18.28 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 63.34 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -150.09 150.38 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 70.45 110.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.578 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 2.7 tt0 -123.92 -1.82 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 74.01 110.221 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p -134.04 54.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 62.51 110.417 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -93.99 -22.85 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 75.13 111.05 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 75.54 111.0 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 14.5 mtp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.444 0.164 . . . . 72.43 111.053 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 51.5 p -162.69 172.45 15.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 65.52 110.05 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 106.89 -25.83 21.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.534 1.146 . . . . 71.33 110.945 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.66 128.77 3.21 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.049 -0.82 . . . . 53.43 111.049 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.09 69.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 71.13 109.284 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.43 -58.62 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 73.32 109.274 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.41 126.05 47.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 74.41 109.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.732 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.6 m0 -78.74 -153.58 0.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.54 1.15 . . . . 73.43 107.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -94.19 160.57 14.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 75.25 110.36 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.33 130.87 55.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 75.33 109.558 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 6.0 mt -97.63 113.61 25.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.484 1.115 . . . . 73.23 109.302 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -105.25 130.95 53.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 63.13 110.054 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.05 3.92 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 65.44 110.006 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.425 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -94.63 -29.57 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 73.3 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.59 -0.68 43.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 61.52 110.345 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 66' ' ' ILE . 4.8 m -75.62 -176.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 74.23 109.354 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 64.45 109.284 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.015 -0.365 . . . . 63.31 110.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtp -127.08 95.42 36.78 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 74.03 111.056 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.64 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.552 1.817 . . . . 72.22 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -171.78 134.47 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 60.34 110.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 10.1 tp10 -127.48 131.51 50.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 71.45 110.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 4' ' ' GLU . 46.9 mttp -53.5 177.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 74.11 109.338 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.466 ' CG2' ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -114.26 155.46 26.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 71.24 110.423 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.545 ' CD1' ' OE2' ' A' ' 36' ' ' GLU . 89.8 m-85 -49.21 -22.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 75.3 111.004 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HG3' ' CG2' ' A' ' 6' ' ' THR . 0.0 OUTLIER -81.55 -34.49 31.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 74.23 109.257 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' THR . 28.5 mt-30 -95.41 -65.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 60.23 110.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 29.8 tpt180 -37.91 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 73.14 110.314 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.32 108.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 72.24 110.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 t -54.36 130.09 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 61.51 110.034 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -44.96 -42.08 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 71.11 111.045 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.99 -39.91 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 75.23 110.274 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 75.04 110.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.494 ' CD ' ' OH ' ' A' ' 110' ' ' TYR . 18.2 ttm105 -74.57 -60.21 2.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 74.24 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -45.09 -29.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 73.55 109.333 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -81.66 -40.01 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 74.55 110.243 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 51' ' ' LYS . 13.5 t70 -60.83 -31.4 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 75.14 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.76 -37.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 74.15 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -42.84 -41.47 3.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 73.35 110.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.5 mt -64.48 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 71.15 109.29 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.524 HD11 ' CG ' ' B' ' 338' ' ' TRP . 1.1 tp -48.72 -24.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 75.23 109.236 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -81.23 -35.65 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.04 110.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.3 pt-20 -91.25 -5.13 55.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 75.54 110.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 32.3 mt-30 -114.84 -54.99 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 74.23 110.353 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.6 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 21.7 m-70 -117.76 80.39 13.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 74.54 109.635 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -31.45 6.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 74.04 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -90.0 29.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 72.21 110.416 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.07 148.21 49.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 75.02 109.29 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 16.4 mm -103.27 116.98 61.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 70.42 109.323 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.58 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.96 133.87 17.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.548 1.815 . . . . 60.01 111.031 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.54 155.09 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 72.13 109.243 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 108' ' ' PHE . 8.3 mm -123.43 98.76 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 73.34 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -88.36 113.88 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 71.31 109.279 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.545 ' OE2' ' CD1' ' A' ' 7' ' ' PHE . 73.0 mt-10 -124.84 157.46 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 73.35 110.34 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.43 142.3 50.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.24 110.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -64.88 138.78 58.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 72.52 110.977 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 ptmm? -56.72 100.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.55 109.297 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.86 17.96 11.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 74.45 110.979 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 43' ' ' GLN . 7.4 tp10 -103.56 109.18 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 74.3 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 -37.14 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 72.3 109.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 51.3 mt-30 -38.88 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 65.43 110.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 115' ' ' SER . 5.0 mt -57.87 150.71 47.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 74.32 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 167.48 26.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.469 1.773 . . . . 74.43 111.016 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -81.5 118.43 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 73.0 109.309 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD12 ' CB ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -42.57 144.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 72.3 109.295 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.423 ' N ' HD11 ' A' ' 47' ' ' LEU . 11.0 t0 -46.1 -44.48 15.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 70.44 109.245 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' CE ' ' HB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -149.19 -174.58 4.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 64.03 109.249 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.453 ' CG2' HG22 ' A' ' 34' ' ' ILE . 2.3 m -113.48 -25.78 8.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 64.23 110.429 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 7.9 mtmt -87.69 128.95 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.5 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CD2' HG22 ' B' ' 339' ' ' THR . 96.6 m-85 -140.53 130.32 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 72.04 111.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.6 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 2.5 mt -96.46 104.4 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 74.13 109.355 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 2.2 p -102.21 143.58 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 73.55 109.338 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 136.01 19.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 72.21 110.99 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -87.54 46.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.21 109.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 22.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 74.42 109.617 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.62 -166.21 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 73.11 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.7 147.64 37.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 71.01 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.493 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.2 ppp? -46.17 -25.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 75.42 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.474 ' CB ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -56.41 -54.83 41.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 60.52 110.019 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.26 -57.15 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 65.32 110.28 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 67' ' ' ILE . 1.1 tt -40.68 -42.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 75.35 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.75 -54.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.44 109.338 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -57.32 -19.26 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 65.21 109.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' B' ' 341' ' ' LEU . 2.8 mm -85.06 -39.42 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 73.3 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.601 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.7 mm -67.55 -52.88 36.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.11 109.261 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.4 -21.99 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 75.11 110.216 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -77.2 -29.15 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.23 110.253 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.431 ' CB ' HD12 ' A' ' 47' ' ' LEU . 7.5 mmm180 -77.23 -39.85 47.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 71.15 110.313 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . 9.0 mt -77.65 -6.59 54.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.177 . . . . 72.23 109.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 38.7 44.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 75.43 110.318 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 44' ' ' LEU . 11.6 mt -83.62 174.66 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 75.2 109.373 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -131.17 -171.65 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 74.2 109.324 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.69 78.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 64.32 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -60.81 -38.76 86.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 74.34 109.298 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.462 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 50.1 tp60 -93.77 138.02 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.3 110.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.25 135.11 46.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 75.3 109.279 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.601 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -136.25 133.42 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 75.54 110.959 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.4 m-85 -143.42 115.6 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 74.22 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -84.95 114.62 22.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 75.43 109.262 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -86.95 116.44 25.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.12 109.245 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 12.0 t -76.58 104.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 75.33 109.246 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.461 ' CB ' ' NE2' ' A' ' 86' ' ' HIS . 1.4 m-20 69.89 8.24 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 73.33 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.23 -2.38 26.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 75.13 111.048 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 3.3 p80 -119.17 127.02 52.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 0.813 . . . . 74.02 109.607 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.468 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.48 172.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 72.54 109.983 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -118.32 42.22 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 74.41 110.964 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -38.57 -31.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.21 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.5 m -121.43 103.44 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 61.44 109.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.493 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -107.31 88.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 75.24 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -126.84 17.55 7.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 74.42 110.077 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 19.2 m -127.53 144.88 52.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.01 110.358 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.04 138.66 23.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 74.22 110.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.4 HD13 ' CD1' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -47.23 -26.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.51 109.26 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 94' ' ' PRO . 95.9 p -61.49 -43.68 98.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.11 109.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -81.13 -55.85 4.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 74.43 110.324 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.9 t -41.69 -30.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 74.24 109.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.503 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 1.5 t80 -81.13 -47.36 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 73.42 110.956 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.34 -4.35 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 74.24 110.298 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -111.22 -11.24 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 63.15 110.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 103' ' ' ARG . 55.0 mm-40 -121.09 -57.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 75.1 110.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.1 ppt_? -37.55 152.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 74.0 110.27 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.31 -175.19 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 52.11 109.262 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 42.8 mt-10 -45.38 -46.6 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 74.25 110.308 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.436 ' OD2' ' N ' ' A' ' 107' ' ' GLY . 0.5 OUTLIER -39.96 -49.51 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.31 109.34 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 103.45 0.23 46.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 52.32 110.985 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.654 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -108.29 134.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 73.31 110.946 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' ILE . 3.4 mt -79.0 148.6 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 71.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.494 ' OH ' ' CD ' ' A' ' 16' ' ' ARG . 96.8 m-85 -125.56 112.18 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.44 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.449 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 15.9 mtt -127.42 148.39 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 71.41 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.4 t -126.83 115.89 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 74.1 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.479 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 5.4 p90 -100.42 156.31 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 73.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.462 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -176.17 178.28 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 72.12 109.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.53 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.4 t -90.63 32.33 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.34 110.046 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -149.87 123.06 8.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 70.45 110.338 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 6.0 tt0 -111.58 -7.59 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 74.01 110.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 61.9 p -132.83 52.96 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 62.51 110.423 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -87.07 -29.1 22.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.065 . . . . 75.13 111.073 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 75.54 111.022 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 20.5 mtt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.434 0.159 . . . . 72.43 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 85.9 p -127.96 9.19 6.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 65.52 109.985 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.25 149.79 5.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 71.33 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.83 -111.86 0.31 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.843 . . . . 53.43 110.994 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.93 40.84 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 0.791 . . . . 71.13 109.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -44.6 -45.91 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 73.32 109.357 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.95 131.92 41.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 74.41 109.307 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.654 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 4.8 m0 -69.01 -154.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 73.43 108.032 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -95.81 159.3 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 75.25 110.402 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 132.09 45.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 75.33 109.58 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.593 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.1 OUTLIER -100.14 85.72 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 73.23 109.252 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.0 120.1 32.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 63.13 109.985 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' B' ' 343' ' ' SER . 0.0 OUTLIER -86.67 13.75 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 65.44 109.983 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 -24.6 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 73.3 109.314 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -89.53 -0.47 57.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 61.52 110.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 3.0 m -82.85 167.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 74.23 109.33 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 24.8 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 64.45 109.253 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.409 ' H1 ' ' H ' ' A' ' 1' ' ' MET . 68.9 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.982 -0.377 . . . . 63.31 109.982 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' H ' ' H1 ' ' A' ' 0' ' ' SER . 11.7 mmt -62.7 156.26 65.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.03 111.017 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.88 42.88 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.448 1.762 . . . . 72.22 110.95 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -127.27 170.63 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 60.34 109.978 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -109.86 157.09 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 71.45 110.27 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -54.75 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 74.11 109.289 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 4.1 p -127.56 154.3 45.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 71.24 110.432 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.564 ' CD1' ' HD3' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -41.72 -27.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 75.3 111.015 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 21.5 ptmt -71.73 -48.81 44.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 74.23 109.318 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.0 mm100 -83.31 -60.72 2.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 60.23 110.33 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 6' ' ' THR . 36.7 tpt85 -50.66 -72.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 73.14 110.377 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HG2' ' CE1' ' A' ' 7' ' ' PHE . 2.8 mpt_? -69.3 119.11 13.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 72.24 110.262 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.77 133.13 51.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 61.51 109.986 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.0 -47.44 22.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 71.11 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.74 -29.3 66.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.23 110.29 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -82.46 -29.09 30.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 75.04 110.329 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HD3' ' CD1' ' A' ' 7' ' ' PHE . 38.9 ttp180 -83.43 -23.66 32.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 74.24 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.82 -34.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 73.55 109.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 15.7 pt-20 -75.66 -42.9 50.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 74.55 110.383 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -50.47 -46.17 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.14 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -61.96 -44.72 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.15 109.348 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' N ' HG13 ' A' ' 20' ' ' VAL . 12.6 ttm180 -38.53 -46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 73.35 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.8 mt -61.1 -49.31 77.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.589 1.181 . . . . 71.15 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.518 HD13 ' CG ' ' B' ' 338' ' ' TRP . 1.2 tp -61.59 -22.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.141 . . . . 75.23 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -82.06 -37.11 26.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 74.04 110.381 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -88.16 -12.88 42.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.54 110.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 67.2 mt-30 -104.92 -51.21 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 74.23 110.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 10.5 m-70 -122.34 77.03 44.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.54 109.554 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.2 8.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.542 1.812 . . . . 74.04 110.998 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.4 p -90.54 25.67 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 72.21 110.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.47 149.8 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.02 109.227 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' A' ' 99' ' ' TYR . 16.0 mm -101.52 116.68 63.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 70.42 109.361 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.573 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.2 Cg_endo -74.99 139.36 24.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 60.01 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -143.82 159.44 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 72.13 109.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' A' ' 108' ' ' PHE . 2.8 mm -136.78 95.81 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 73.34 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.3 mt -89.01 127.78 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 71.31 109.298 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -129.65 152.87 48.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 73.35 110.301 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -64.86 136.16 56.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 73.24 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.546 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 11.7 t80 -59.89 148.85 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 72.52 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.7 ptpp? -69.6 93.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 73.55 109.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.67 21.22 6.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 74.45 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -109.45 111.14 22.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 74.3 110.258 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 -31.04 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 72.3 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -42.65 -81.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 65.43 110.36 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.524 ' CD2' ' CD1' ' A' ' 73' ' ' LEU . 14.2 mt -55.91 143.03 62.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 74.32 109.26 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.01 27.99 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.532 1.806 . . . . 74.43 111.045 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.79 117.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 73.0 109.271 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.33 146.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.16 . . . . 72.3 109.248 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' N ' HD11 ' A' ' 47' ' ' LEU . 13.7 t0 -52.07 -45.91 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 70.44 109.245 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 175.68 9.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 64.03 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -108.47 -25.99 10.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 64.23 110.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 8.7 mtmm -97.79 132.16 43.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 74.5 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -139.69 138.07 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 72.04 111.008 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.547 HD22 ' CE3' ' B' ' 338' ' ' TRP . 7.6 mt -103.99 104.21 14.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 74.13 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.5 t -88.29 141.61 30.95 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 73.55 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 132.69 15.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 72.21 110.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -86.71 46.0 1.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 73.21 109.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CE1' HG12 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -148.8 19.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 74.42 109.555 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG12 ' CE1' ' A' ' 57' ' ' HIS . 33.0 m -137.09 -165.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 73.11 109.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.03 150.51 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 71.01 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.495 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.6 ppp? -46.13 -24.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.42 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.459 ' CB ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -58.05 -56.16 25.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 60.52 110.002 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 65' ' ' LYS . 21.8 mt-10 -42.05 -50.07 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 65.32 110.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' CD2' HG12 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -44.21 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 75.35 109.247 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.421 HD11 ' N ' ' A' ' 64' ' ' ILE . 5.8 mm -57.8 -41.51 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 73.44 109.302 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' GLU . 60.6 mtpt -67.06 -35.64 80.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 65.21 109.31 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' B' ' 342' ' ' SER . 13.6 mm -67.76 -38.88 81.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 73.3 109.346 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 19.8 mm -68.69 -69.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 74.11 109.27 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.11 110.345 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 67' ' ' ILE . 2.5 mmp_? -69.96 -49.72 48.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 73.23 110.24 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -58.36 -35.4 71.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.61 1.194 . . . . 71.15 110.327 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' GLN . 6.1 mt -82.36 -16.73 48.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 72.23 109.368 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' LEU . 19.6 pt20 38.6 47.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 75.43 110.283 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.524 ' CD1' ' CD2' ' A' ' 44' ' ' LEU . 4.4 mt -80.05 -179.98 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 75.2 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -120.31 -175.17 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 74.2 109.268 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -36.06 82.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 64.32 109.276 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.41 -39.5 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 74.34 109.328 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.442 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 35.4 tp60 -87.08 119.08 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.3 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.13 140.95 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.3 109.306 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -141.21 134.5 29.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 75.54 111.071 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.8 m-85 -142.98 129.29 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 74.22 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -94.58 118.63 31.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 75.43 109.279 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -95.41 117.03 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 74.12 109.292 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.599 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.6 t -86.27 112.24 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.33 109.256 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.1 m-20 69.24 11.77 8.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 73.33 109.309 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.56 6.53 50.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 75.13 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 20.3 p80 -127.47 130.01 48.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 74.02 109.604 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.446 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -57.36 172.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 72.54 110.014 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.439 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -120.54 42.24 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.077 . . . . 74.41 111.067 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.2 m -39.8 -30.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 72.21 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.4 m -117.74 104.46 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 61.44 109.964 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.495 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -108.43 87.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.14 . . . . 75.24 109.314 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.0 t -124.31 18.39 9.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.42 110.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 21.9 m -131.01 144.59 54.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 72.01 110.378 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.02 142.74 28.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.517 1.799 . . . . 74.22 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.444 ' CD1' HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -51.31 -22.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 74.51 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 p -68.2 -41.01 82.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.11 109.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 28.6 mm-40 -82.97 -53.57 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 74.43 110.242 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.1 t -42.85 -34.96 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 74.24 109.331 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.572 ' CD2' HD21 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.45 -39.35 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 73.42 111.025 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.9 pt-20 -78.05 -4.17 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.24 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.46 5.36 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 63.15 110.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ARG . 6.4 mm-40 -136.56 -53.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 75.1 110.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -35.66 152.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 74.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -108.67 -175.04 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 52.11 109.297 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -49.99 -29.82 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.25 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 72.31 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.28 36.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 52.32 111.041 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.79 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.7 OUTLIER -111.82 129.25 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 0.757 . . . . 73.31 111.076 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.49 135.66 37.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.458 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.5 m-85 -117.25 107.7 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 75.44 111.035 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.403 ' SD ' ' CG2' ' A' ' 83' ' ' VAL . 3.6 mtt -132.96 135.0 45.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 71.41 111.008 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.546 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.9 t -106.67 135.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 74.1 109.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 5.9 p90 -111.4 153.67 25.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 73.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.503 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -163.55 177.94 8.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 72.12 109.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.1 p -89.9 19.9 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.34 110.015 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -150.03 150.07 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 70.45 110.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.569 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 2.6 tt0 -123.97 -1.74 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 74.01 110.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.3 p -135.59 56.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 62.51 110.45 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -94.2 -34.17 13.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 75.13 111.044 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.133 . . . . 75.54 111.017 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 11.5 mtt . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.464 0.173 . . . . 72.43 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 12.1 t -41.67 -55.5 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 65.52 110.051 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -79.64 55.27 4.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.388 1.055 . . . . 71.33 111.005 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -92.19 56.32 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.03 -0.828 . . . . 53.43 111.03 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -118.09 60.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 71.13 109.351 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -42.92 -52.11 5.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 73.32 109.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -153.9 154.76 34.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 74.41 109.26 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.79 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 1.5 m0 -91.32 -152.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.43 107.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.32 160.03 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.25 110.373 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 125.37 53.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 75.33 109.581 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 7.4 mt -92.14 92.73 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 73.23 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -86.02 130.85 34.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.114 . . . . 63.13 109.945 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.19 5.92 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 65.44 109.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -98.82 -23.18 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 73.3 109.299 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -87.11 -0.64 56.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 61.52 110.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' A' ' 66' ' ' ILE . 3.7 m -76.52 -179.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 74.23 109.339 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 64.45 109.244 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.944 -0.391 . . . . 63.31 109.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptp -138.26 158.86 70.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.03 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.537 1.809 . . . . 72.22 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -173.13 159.01 3.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 60.34 110.002 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -152.87 150.08 28.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 71.45 110.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -54.68 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 74.11 109.34 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLN . 10.7 p -124.34 156.77 36.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 71.24 110.37 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 16.7 m-85 -44.84 -24.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 75.3 110.915 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 16' ' ' ARG . 18.4 ptpt -73.41 -43.04 61.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 74.23 109.329 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.5 mt-30 -91.18 -64.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 60.23 110.367 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' THR . 25.9 tpt180 -45.19 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 73.14 110.256 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 8.6 mpt_? -57.75 124.8 20.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 72.24 110.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -65.15 123.2 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 61.51 109.961 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.589 ' CE1' ' OD2' ' A' ' 106' ' ' ASP . 2.2 t80 -39.85 -57.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 71.11 110.947 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 32.5 mt-10 -55.64 -35.55 66.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 75.23 110.311 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' SER . 50.0 tt0 -66.95 -41.48 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 75.04 110.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.631 ' NH1' ' CE1' ' A' ' 110' ' ' TYR . 59.4 mtm180 -66.44 -60.41 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 74.24 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 14' ' ' GLU . 3.7 p -48.21 -57.1 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 73.55 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -41.11 -28.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 74.55 110.356 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 3.7 t70 -74.53 -55.27 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 75.14 109.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.21 -42.69 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 74.15 109.291 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -45.09 -34.05 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 73.35 110.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 2.7 mt -64.37 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 71.15 109.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.572 HD11 ' CD1' ' B' ' 338' ' ' TRP . 1.2 mp -53.95 -24.55 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 75.23 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -32.34 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.04 110.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -13.16 18.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 75.54 110.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -97.77 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.23 110.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CG ' HD11 ' A' ' 53' ' ' LEU . 62.7 m-70 -118.22 79.72 14.98 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.54 109.588 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.52 12.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.477 1.777 . . . . 74.04 110.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -83.2 8.34 13.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 72.21 110.39 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -126.94 158.64 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 75.02 109.251 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.592 ' CG2' ' CD2' ' A' ' 99' ' ' TYR . 10.1 mm -107.04 120.61 47.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 70.42 109.322 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.48 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -75.05 127.28 10.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 60.01 110.956 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -132.43 156.12 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 72.13 109.312 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.537 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.3 mm -129.71 97.13 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 73.34 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.3 mt -91.76 132.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 71.31 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' HG3' ' CE1' ' A' ' 7' ' ' PHE . 10.7 mm-40 -140.53 140.18 35.18 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.571 1.169 . . . . 73.35 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.96 140.9 35.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 73.24 110.237 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -60.88 140.66 57.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 72.52 110.986 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.8 ptmt -57.86 95.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 73.55 109.234 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.03 18.18 7.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 74.45 111.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -86.14 116.03 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.797 . . . . 74.3 110.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 1.4 pptp? -119.25 -40.35 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 72.3 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 34.8 mt-30 -45.32 -84.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 65.43 110.286 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.565 ' CD2' ' CD1' ' A' ' 73' ' ' LEU . 6.6 mt -55.37 151.03 20.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.32 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.402 ' O ' ' OH ' ' A' ' 113' ' ' TYR . 18.3 Cg_endo -74.98 165.34 31.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 74.43 111.036 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.1 t -77.99 119.38 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 73.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.81 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 72.3 109.234 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -71.85 -38.18 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 70.44 109.316 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' CE ' ' HB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -130.12 -177.16 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 64.03 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.1 m -112.97 -33.9 5.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.073 . . . . 64.23 110.425 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.585 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.3 OUTLIER -113.77 147.27 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 74.5 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 51' ' ' LYS . 3.3 m-85 -140.22 146.42 38.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 72.04 110.967 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 27' ' ' HIS . 25.3 mt -100.93 103.14 14.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 74.13 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 p -92.52 142.53 25.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 73.55 109.288 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.425 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 18.3 Cg_endo -74.96 123.7 8.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.52 1.8 . . . . 72.21 111.025 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -77.62 56.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 73.21 109.273 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 7.5 p80 -159.23 29.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.42 109.638 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.9 m -145.9 -164.82 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 73.11 109.341 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.46 154.73 26.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 71.01 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.504 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.6 ppp? -52.75 -25.15 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 75.42 111.029 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.471 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -51.5 69.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 60.52 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LEU . 40.0 mm-40 -42.27 -57.36 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 65.32 110.363 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.433 HD13 ' CG1' ' A' ' 67' ' ' ILE . 3.5 tp -40.16 -47.56 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 75.35 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 64' ' ' ILE . 6.5 mm -51.13 -62.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 73.44 109.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 9.3 mtmm -52.97 -32.36 45.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 65.21 109.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.464 ' CG2' HD21 ' B' ' 341' ' ' LEU . 4.5 mt -73.24 -27.26 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 73.3 109.29 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.587 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 17.1 mm -80.69 -69.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.11 109.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.539 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -45.15 -25.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 75.11 110.372 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -73.11 -40.48 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 73.23 110.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.61 -45.32 75.8 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.459 1.099 . . . . 71.15 110.357 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' GLN . 4.6 mt -68.8 -8.58 44.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 72.23 109.227 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.0 pt20 39.07 56.01 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 75.43 110.283 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.565 ' CD1' ' CD2' ' A' ' 44' ' ' LEU . 6.7 mt -88.43 -179.4 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 75.2 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -117.02 -174.99 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 74.2 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.61 58.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 64.32 109.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -81.34 -16.99 50.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.199 . . . . 74.34 109.329 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.446 ' CG ' HD21 ' A' ' 44' ' ' LEU . 35.0 tp60 -98.86 117.39 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 75.3 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.32 130.0 34.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.3 109.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -134.06 135.5 43.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 75.54 111.013 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.487 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 20.0 m-85 -143.3 123.82 14.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 74.22 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -90.0 110.09 21.09 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.468 1.105 . . . . 75.43 109.309 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 2.3 mm? -83.89 112.93 20.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.12 109.231 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.6 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 24.9 t -83.11 109.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 75.33 109.296 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.7 m-20 67.4 15.76 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.061 . . . . 73.33 109.354 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.67 7.25 55.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 75.13 111.023 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 22.9 p80 -128.03 127.7 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 74.02 109.566 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.447 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.7 p -57.71 172.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 72.54 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.456 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -120.92 42.17 3.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 74.41 111.022 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.2 m -39.5 -30.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 72.21 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 t -121.09 106.16 11.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 61.44 110.011 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.504 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -107.78 93.91 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 75.24 109.295 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.08 14.72 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 74.42 110.008 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 87.7 m -127.26 143.46 47.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 72.01 110.398 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.02 140.13 25.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 74.22 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.99 -29.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 74.51 109.379 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 t -59.96 -40.54 89.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 73.11 110.007 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLU . 81.1 mt-10 -84.27 -53.12 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 74.43 110.23 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 7.2 t -42.65 -34.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 74.24 109.339 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.592 ' CD2' ' CG2' ' A' ' 31' ' ' ILE . 0.9 OUTLIER -78.47 -41.1 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 73.42 111.024 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.3 pt-20 -77.3 -4.18 43.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.24 110.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.39 5.33 14.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.15 110.0 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 4.2 mm-40 -134.61 -53.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 75.1 110.338 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -36.4 153.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 74.0 110.289 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -114.55 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 52.11 109.318 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 88.1 mt-10 -42.49 -53.58 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 74.25 110.26 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.589 ' OD2' ' CE1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -40.3 -52.04 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 72.31 109.27 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.418 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . 100.63 31.28 5.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 52.32 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -130.73 133.65 46.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 73.31 110.959 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.574 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.19 136.33 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.631 ' CE1' ' NH1' ' A' ' 16' ' ' ARG . 90.6 m-85 -122.78 107.61 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.44 110.928 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.9 mtt -132.36 147.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 71.41 110.941 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.536 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.7 t -116.31 145.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 74.1 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.558 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 1.6 p90 -120.49 157.9 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.471 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -177.8 177.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 72.12 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.467 ' CA ' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -92.65 29.82 1.68 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 63.34 110.029 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 119' ' ' PHE . 3.4 pt20 -149.74 131.13 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 70.45 110.37 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.487 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 3.4 tt0 -114.44 -9.9 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 74.01 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 57.1 p -128.19 73.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 62.51 110.427 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.41 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 33.4 p90 -107.95 -34.94 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 75.13 110.925 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 75.54 111.016 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 9.6 mtt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.48 0.181 . . . . 72.43 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 51.9 p -141.97 135.53 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 65.52 110.022 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -49.23 112.4 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 71.33 110.994 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.62 108.27 2.63 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.068 -0.813 . . . . 53.43 111.068 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.79 67.53 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 71.13 109.308 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -63.92 -27.44 69.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 73.32 109.274 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -131.44 109.75 10.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 74.41 109.247 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.746 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -61.81 -154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 73.43 107.977 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 3.2 t -95.1 145.34 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.25 110.349 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 123.74 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.33 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.464 HD21 ' CG2' ' A' ' 66' ' ' ILE . 9.7 mt -90.77 121.84 32.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 73.23 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.55 128.32 55.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 63.13 109.983 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.5 12.84 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 65.44 109.995 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -26.61 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 73.3 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.27 -0.51 41.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 61.52 110.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -79.72 159.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 74.23 109.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 64.45 109.377 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.021 -0.362 . . . . 63.31 110.021 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mmt 59.41 161.61 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 74.03 111.0 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -72.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 72.22 111.046 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -77.28 139.82 39.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 60.34 110.017 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -159.58 169.85 22.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 71.45 110.395 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -72.31 169.8 15.48 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.534 1.146 . . . . 74.11 109.219 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.465 HG22 ' CG ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -109.35 151.12 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 71.24 110.386 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.584 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 13.7 m-85 -47.97 -22.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 75.3 110.936 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HG2' ' CG2' ' A' ' 6' ' ' THR . 8.3 ptmt -81.6 -36.85 28.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.23 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' CG ' HG22 ' A' ' 6' ' ' THR . 6.8 mm100 -87.97 -63.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 60.23 110.308 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' GLN . 46.5 tpt85 -37.04 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 73.14 110.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' ARG . 7.5 mpt_? -38.55 144.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.24 110.345 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLN . 3.6 m -71.29 111.14 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 61.51 109.991 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 -37.73 -60.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 71.11 111.045 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -44.98 -39.89 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 75.23 110.314 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.2 tp-100 -67.18 -58.24 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 75.04 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -48.66 -38.04 20.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 74.24 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 106' ' ' ASP . 97.5 t -75.06 -38.37 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.55 109.343 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -58.34 -48.26 81.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.55 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD2' ' CD ' ' A' ' 51' ' ' LYS . 9.7 t70 -60.41 -40.03 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 75.14 109.328 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.541 HG23 ' CD2' ' A' ' 108' ' ' PHE . 14.2 t -56.75 -32.45 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 74.15 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -61.39 -50.16 74.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 73.35 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -55.33 -56.51 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 71.15 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.56 HD13 ' CD1' ' B' ' 338' ' ' TRP . 1.1 tp -60.37 -30.34 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 75.23 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -69.1 -33.06 72.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.04 110.304 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.44 -4.94 27.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.54 110.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' LEU . 31.0 mt-30 -106.47 -62.32 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 74.23 110.32 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CG ' HD13 ' A' ' 53' ' ' LEU . 26.8 m-70 -117.82 80.12 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.54 109.558 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.05 8.67 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 74.04 110.993 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -89.85 26.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 72.21 110.415 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -133.05 147.37 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 75.02 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.495 HG23 ' CD1' ' A' ' 99' ' ' TYR . 38.9 mm -94.94 113.73 61.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 70.42 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.561 ' HD2' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 60.01 110.993 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.62 151.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 72.13 109.322 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.54 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.2 mm -124.01 95.57 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 73.34 109.284 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 mt -96.2 121.95 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 71.31 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.584 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -124.11 179.95 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.35 110.33 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -83.06 140.62 32.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 73.24 110.282 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 22.9 t80 -63.75 154.07 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 72.52 110.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 23.1 mtmm -75.87 95.02 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 73.55 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.51 21.02 6.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 74.45 110.979 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 5.3 tm-20 -116.76 103.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 74.3 110.33 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 -18.87 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 72.3 109.347 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -49.33 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 65.43 110.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.6 mt -54.67 151.96 13.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.32 109.366 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' O ' ' OH ' ' A' ' 113' ' ' TYR . 18.2 Cg_endo -74.94 165.54 31.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.536 1.809 . . . . 74.43 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.8 t -76.56 117.18 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 73.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.26 145.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 72.3 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.418 ' N ' HD11 ' A' ' 47' ' ' LEU . 6.0 t0 -49.61 -46.63 49.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 70.44 109.31 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.412 ' CD ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -138.17 -173.74 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 64.03 109.299 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 m -115.8 -34.1 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 64.23 110.342 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.511 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 17.1 mtmm -93.94 127.09 39.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 74.5 109.337 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -132.38 134.02 44.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 72.04 110.966 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.573 HD22 ' CE3' ' B' ' 338' ' ' TRP . 17.9 mt -99.22 104.14 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 74.13 109.362 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.5 t -85.1 141.44 37.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 73.55 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.11 121.98 6.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 72.21 111.034 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -76.91 57.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 73.21 109.299 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 55' ' ' PRO . 13.8 p80 -161.19 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 74.42 109.573 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.404 HG13 ' ND1' ' A' ' 57' ' ' HIS . 13.5 m -148.69 -160.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 73.11 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.7 159.69 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 71.01 109.299 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.491 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.5 ppp? -55.74 -23.23 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 75.42 110.961 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -59.16 -55.35 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 60.52 109.983 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 23.1 mt-10 -43.09 -52.4 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 65.32 110.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' CD2' HG12 ' A' ' 67' ' ' ILE . 0.8 OUTLIER -41.8 -44.31 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 75.35 109.356 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.0 mm -54.7 -52.09 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 73.44 109.249 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -60.07 -33.58 72.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 65.21 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' B' ' 342' ' ' SER . 2.8 mm -67.42 -38.09 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 73.3 109.373 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.572 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 13.8 mm -70.37 -68.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 74.11 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 9.3 ptm180 -38.94 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 75.11 110.331 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmp_? -67.92 -51.24 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 73.23 110.265 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -62.31 -23.28 66.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 71.15 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' A' ' 72' ' ' GLN . 28.4 mt -92.37 -3.75 54.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 72.23 109.299 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.536 ' C ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER 27.51 47.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 75.43 110.308 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 71' ' ' LEU . 2.0 mt -79.58 -173.67 3.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 75.2 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -130.34 177.05 7.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 74.2 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.6 -19.56 65.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 64.32 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -76.88 -33.66 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 74.34 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -93.69 112.58 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.3 110.295 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.74 137.12 36.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 75.3 109.259 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CZ ' HG23 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -138.14 134.74 34.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 75.54 110.992 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 20.3 m-85 -143.31 132.02 22.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 74.22 111.041 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.45 109.61 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 75.43 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 2.7 mm? -84.84 104.98 15.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 74.12 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.623 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 29.6 t -77.09 111.1 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 75.33 109.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.8 OUTLIER 65.55 10.88 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 73.33 109.301 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.51 11.19 36.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 75.13 111.071 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.9 p80 -130.39 135.96 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 74.02 109.572 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.412 ' N ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -58.13 171.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.54 109.988 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.407 ' SD ' ' C ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -131.73 31.97 4.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 74.41 110.995 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.33 -16.22 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 72.21 109.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' SER . 1.5 m -104.99 22.62 14.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 61.44 109.928 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.491 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.98 97.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 75.24 109.342 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.7 m -131.6 11.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 74.42 109.972 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 30.2 m -129.35 144.51 53.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 72.01 110.456 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 139.07 24.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 74.22 111.022 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.464 ' CD1' HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -46.66 -28.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 74.51 109.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.4 p -62.37 -43.67 98.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 73.11 110.0 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.419 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 35.8 mt-10 -79.58 -55.34 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 74.43 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.469 HG21 ' CG2' ' A' ' 93' ' ' THR . 22.4 t -43.0 -29.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 74.24 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.566 ' CD1' HD23 ' A' ' 109' ' ' LEU . 37.6 t80 -72.84 -48.75 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 73.42 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 3.0 pt-20 -81.28 -3.67 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 74.24 110.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -110.97 1.83 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 63.15 109.96 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 66.0 mm-40 -132.94 -49.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 75.1 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.91 156.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 74.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.34 -175.2 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 52.11 109.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -48.32 -27.56 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 74.25 110.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 1.5 p30 -67.09 -45.87 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 72.31 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . 101.04 6.8 51.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 52.32 111.013 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.776 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -107.62 133.05 52.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.806 . . . . 73.31 111.026 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.17 144.97 35.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 71.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.1 m-85 -131.21 122.43 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.44 110.993 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.7 mtt -145.05 145.73 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 71.41 111.019 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 7.1 t -113.38 141.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 74.1 109.266 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 1.4 p90 -119.5 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.456 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.51 178.58 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.12 109.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.488 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.6 t -89.94 23.64 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 63.34 110.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.9 tp60 -150.02 142.66 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 70.45 110.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.554 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 3.8 tt0 -122.0 -3.19 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 74.01 110.32 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 67.4 p -137.27 67.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 62.51 110.363 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -99.23 -34.47 10.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 75.13 110.989 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 75.54 110.982 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 51.9 mmm . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.455 0.169 . . . . 72.43 111.047 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 30.6 m -61.13 87.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 65.52 110.056 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 167.43 78.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 71.33 111.029 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' B' ' 335' ' ' ASP . . . -140.33 166.64 25.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.028 -0.829 . . . . 53.43 111.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' B' ' 334' ' ' GLY . 7.5 m-20 39.29 52.04 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 71.13 109.323 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . 0.413 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 1.7 p-10 -59.2 -38.54 80.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.32 109.289 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -135.49 136.82 41.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 74.41 109.309 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.776 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 2.3 m0 -88.15 -152.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.546 1.154 . . . . 73.43 107.978 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 4.9 m -89.8 156.52 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 75.25 110.442 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 112.04 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 75.33 109.633 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 66' ' ' ILE . 3.7 mt -92.53 109.56 20.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 73.23 109.246 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 9.2 m -117.42 146.43 43.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 63.13 109.976 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.424 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -89.03 6.26 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 65.44 110.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.418 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -102.49 -20.46 14.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 73.3 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -94.84 -0.56 53.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 61.52 110.269 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.428 ' CG1' ' CD1' ' A' ' 66' ' ' ILE . 9.8 m -76.88 -172.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 74.23 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . 0.425 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 5.6 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 64.45 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.975 -0.38 . . . . 63.31 109.975 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtp -138.89 95.46 9.65 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 74.03 110.982 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.1 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.428 1.752 . . . . 72.22 111.054 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -50.93 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 60.34 110.015 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.07 124.54 18.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 71.45 110.286 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -69.48 164.23 23.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 74.11 109.252 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 9' ' ' GLN . 15.2 p -91.4 147.22 23.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 71.24 110.352 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' CG ' ' HG2' ' A' ' 36' ' ' GLU . 35.9 m-85 -44.01 -24.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 75.3 110.986 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -80.5 -42.28 22.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.23 109.336 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -81.45 -61.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 60.23 110.305 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' GLN . 24.4 tpt180 -37.17 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.14 110.348 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -49.66 145.47 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 72.24 110.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.4 126.9 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 61.51 109.982 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.5 t80 -52.26 -45.66 65.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 71.11 110.996 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -19.26 63.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 75.23 110.251 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -90.32 -40.64 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 75.04 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.646 ' NH2' ' CE1' ' A' ' 110' ' ' TYR . 28.3 mmm-85 -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 74.24 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.403 ' CG2' ' HA ' ' A' ' 106' ' ' ASP . 49.3 t -73.91 -48.1 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 73.55 109.357 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 39.4 tt0 -62.84 -51.64 66.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 74.55 110.251 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -44.54 -36.44 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 75.14 109.287 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.511 HG21 ' CE2' ' A' ' 108' ' ' PHE . 2.7 t -69.87 -44.3 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 74.15 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 41.8 ttt180 -38.88 -42.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 73.35 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -58.69 -67.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 71.15 109.208 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.532 HD11 ' CD1' ' B' ' 338' ' ' TRP . 1.1 tp -50.49 -24.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 75.23 109.315 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -34.93 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 74.04 110.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.8 -4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 75.54 110.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' LEU . 50.9 mt-30 -110.63 -57.22 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 74.23 110.337 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.526 ' CD2' HD12 ' A' ' 23' ' ' ILE . 9.8 m-70 -117.13 80.98 12.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 74.54 109.622 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.88 5.92 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.477 1.777 . . . . 74.04 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 p -90.27 28.86 1.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 72.21 110.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -135.11 144.76 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 75.02 109.226 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 10.4 mm -100.83 116.15 64.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 70.42 109.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 17.9 Cg_endo -75.05 139.48 24.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 60.01 110.938 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.86 160.73 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 72.13 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.505 ' CG1' ' CD1' ' A' ' 108' ' ' PHE . 6.5 mm -134.9 96.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 73.34 109.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.455 ' CD1' HD21 ' A' ' 63' ' ' LEU . 6.7 mt -95.42 131.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 71.31 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG2' ' CG ' ' A' ' 7' ' ' PHE . 3.9 mp0 -132.48 167.63 19.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 73.35 110.263 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 -75.62 133.47 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.24 110.251 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.89 140.88 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 72.52 111.023 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.588 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.1 ptmt -56.62 97.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 73.55 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.37 15.63 9.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 74.45 111.028 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 114' ' ' ALA . 2.1 tm-20 -93.72 108.96 20.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 74.3 110.292 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.97 -39.75 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 72.3 109.319 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.411 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 30.6 mm-40 -44.71 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 65.43 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 HD21 ' NE2' ' A' ' 77' ' ' GLN . 1.6 mt -54.97 148.2 29.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 74.32 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 168.43 24.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 74.43 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 t -83.59 121.8 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 73.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.443 HD22 ' CG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -45.65 150.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 72.3 109.296 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.11 -33.92 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 70.44 109.251 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 -176.07 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 64.03 109.328 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 35' ' ' ILE . 2.8 m -111.34 -40.24 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 64.23 110.381 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.518 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 12.0 mtmm -71.81 127.01 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 74.5 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.428 ' CD2' HD11 ' A' ' 35' ' ' ILE . 68.8 m-85 -138.96 128.36 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 72.04 111.02 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.521 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 1.7 mt -94.85 104.19 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.539 1.149 . . . . 74.13 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.4 t -93.22 141.64 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 73.55 109.328 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.96 137.62 22.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 72.21 111.014 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.6 p-10 -88.79 43.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 73.21 109.234 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.535 ' CE1' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.99 17.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.394 1.059 . . . . 74.42 109.554 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.535 ' CG1' ' CE1' ' A' ' 57' ' ' HIS . 19.8 m -136.34 -163.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 73.11 109.288 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -113.56 166.11 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 71.01 109.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.498 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 3.0 ppp? -58.63 -31.18 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 75.42 111.033 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.47 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 1.1 t -54.25 -50.69 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 60.52 109.971 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.5 mm-40 -42.01 -53.87 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 65.32 110.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -39.41 -52.79 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 75.35 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 3.2 mt -57.96 -56.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 73.44 109.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 39.7 mtpt -45.35 -26.44 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 65.21 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.486 HG23 ' CD1' ' B' ' 341' ' ' LEU . 2.8 mm -84.34 -49.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 73.3 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.563 HG23 ' CZ ' ' A' ' 79' ' ' PHE . 19.8 mm -45.9 -68.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 74.11 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -45.55 -45.71 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 75.11 110.267 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' NH2' ' CB ' ' B' ' 347' ' ' ASP . 3.9 mpt_? -55.45 -35.17 65.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 73.23 110.313 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -48.49 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 71.15 110.222 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 81.8 mt -69.33 -8.61 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.23 109.267 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.2 pt20 45.74 49.73 11.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 75.43 110.307 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.53 167.86 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 75.2 109.344 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -78.2 175.03 10.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 74.2 109.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.06 -1.17 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 64.32 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -111.7 -32.57 6.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 74.34 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.504 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -45.67 145.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.3 110.271 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.504 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -114.03 133.88 55.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 75.3 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -150.71 145.02 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.54 110.973 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.486 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 77.0 m-85 -143.85 123.05 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 74.22 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 75.43 109.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -91.66 117.07 29.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.12 109.309 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.507 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 3.7 t -84.67 105.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 75.33 109.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.76 15.31 3.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 73.33 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.17 1.79 58.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.571 1.17 . . . . 75.13 110.964 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.507 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.2 p80 -122.61 137.11 55.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.778 . . . . 74.02 109.654 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.409 ' N ' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -57.39 172.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 72.54 109.992 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.407 ' SD ' ' C ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.36 29.28 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 74.41 111.008 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.515 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.4 p -50.79 128.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 72.21 109.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 2.0 m 86.36 18.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 61.44 109.994 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.498 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -37.95 102.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 75.24 109.267 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -138.26 22.2 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 74.42 110.018 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 8.4 m -128.8 145.32 55.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 72.01 110.408 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.0 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 74.22 111.03 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.62 -22.77 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 74.51 109.313 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.464 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 15.6 p -67.39 -39.44 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 73.11 109.934 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' SER . 44.8 mt-10 -85.64 -53.4 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 74.43 110.233 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.2 t -42.86 -32.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 74.24 109.274 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 5.5 t80 -78.73 -50.33 11.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.42 110.965 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.66 -4.73 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.24 110.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 m -109.56 -5.93 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 63.15 109.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' ARG . 33.9 mm-40 -127.44 -59.25 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 75.1 110.279 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 1.7 ppt_? -38.47 155.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 74.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.14 -177.22 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 52.11 109.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -50.19 -23.18 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.25 110.254 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.557 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -59.65 -47.23 86.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 72.31 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 99.46 13.07 39.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 52.32 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.2 OUTLIER -120.31 128.67 53.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 73.31 111.012 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 mt -80.7 143.35 33.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 71.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.646 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 97.1 m-85 -121.27 107.7 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 75.44 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.451 ' HE1' ' CD1' ' A' ' 63' ' ' LEU . 5.5 mtt -128.69 138.91 52.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 71.41 111.04 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.9 t -114.86 121.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 74.1 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 2.5 p90 -105.26 154.96 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 73.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' HB2' ' CG ' ' A' ' 41' ' ' GLU . . . -176.82 178.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 72.12 109.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 t -87.73 34.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 63.34 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.46 ' OE1' ' CZ ' ' A' ' 38' ' ' TYR . 2.9 pt20 -150.36 124.95 9.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 70.45 110.338 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 9.8 tt0 -107.86 -7.05 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 74.01 110.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.9 p -138.39 74.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 62.51 110.359 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.408 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 37.9 p90 -97.25 -31.11 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.13 111.012 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.408 1.068 . . . . 75.54 110.993 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.513 0.197 . . . . 72.43 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 2.6 p -95.47 170.82 9.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 65.52 109.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -94.33 -68.69 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 71.33 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 56.75 47.05 88.56 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.83 . . . . 53.43 111.024 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -108.49 58.01 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.776 . . . . 71.13 109.327 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -68.83 -18.72 64.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 73.32 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -158.38 132.31 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 74.41 109.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.746 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 7.1 m0 -71.79 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.01 -1.108 . . . . 73.43 108.01 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 1.3 m -91.27 155.31 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 75.25 110.389 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 126.95 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 75.33 109.636 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.592 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.2 OUTLIER -97.8 84.24 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 73.23 109.308 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.454 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.8 OUTLIER -89.6 123.49 33.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 63.13 109.945 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.402 ' O ' ' OG ' ' B' ' 343' ' ' SER . 0.0 OUTLIER -86.26 12.6 9.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 65.44 110.0 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.454 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -98.19 -32.09 11.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 73.3 109.313 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.84 -0.72 44.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 61.52 110.269 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 66' ' ' ILE . 2.7 m -86.51 -165.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 74.23 109.386 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . 0.423 ' CB ' ' NH2' ' A' ' 69' ' ' ARG . 2.9 t0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 64.45 109.296 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.401 ' C ' ' SD ' ' A' ' 1' ' ' MET . 95.3 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.003 -0.369 . . . . 63.31 110.003 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 0' ' ' SER . 1.3 mpt? 44.45 95.65 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 74.03 111.025 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 86.49 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 72.22 111.056 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -160.57 -178.83 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 60.34 110.021 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.96 154.46 48.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 71.45 110.303 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HD2' ' CB ' ' A' ' 9' ' ' GLN . 25.3 mmtm -53.44 -173.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 74.11 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' ARG . 4.8 p -123.27 155.21 37.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 71.24 110.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.777 ' CE1' ' CD1' ' A' ' 110' ' ' TYR . 8.0 p90 -45.37 -25.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 75.3 110.982 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 3.3 ptmm? -77.03 -42.17 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.23 109.28 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' CB ' ' HD2' ' A' ' 5' ' ' LYS . 18.6 mm-40 -90.16 -66.41 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 60.23 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' THR . 43.0 tpt85 -45.24 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 73.14 110.286 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.442 ' HG2' ' NH1' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -62.01 150.21 38.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 72.24 110.264 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.66 133.89 37.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 61.51 110.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.9 t80 -59.6 -39.29 83.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 71.11 111.04 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 25.9 mt-10 -69.41 -12.87 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 75.23 110.273 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -84.86 -50.16 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 75.04 110.301 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -63.49 -48.64 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.24 110.347 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 106' ' ' ASP . 8.4 p -60.49 -23.6 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 73.55 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -85.74 -17.79 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 74.55 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 6.6 t0 -81.72 -45.52 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 75.14 109.285 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.57 HG13 ' CD2' ' A' ' 108' ' ' PHE . 35.3 m -58.46 -50.21 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 74.15 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' VAL . 33.1 ttt180 -35.4 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 73.35 110.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 1.8 mt -64.73 -58.09 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 71.15 109.272 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.57 HD12 ' CD1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -61.77 -22.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 75.23 109.33 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -70.25 -28.0 64.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.04 110.27 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.97 -25.79 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.54 110.367 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.58 -54.81 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.23 110.3 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 19.0 m-70 -117.22 79.84 11.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.54 109.616 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.72 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 74.04 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 p -88.76 30.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 72.21 110.338 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -137.95 156.3 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 75.02 109.225 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' A' ' 99' ' ' TYR . 9.6 mm -109.42 117.79 52.18 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 70.42 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -74.98 135.26 18.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 60.01 110.977 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.63 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 72.13 109.257 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.1 mm -124.75 95.75 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 73.34 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 mt -95.45 121.51 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 71.31 109.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.595 ' OE1' ' CE2' ' A' ' 7' ' ' PHE . 1.5 mp0 -129.28 179.07 5.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 73.35 110.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -87.22 139.36 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 73.24 110.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.14 143.1 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 72.52 111.016 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 14.3 ptmt -55.65 91.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 73.55 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' TYR . . . 112.7 21.58 6.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 74.45 110.99 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -87.15 108.59 18.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 74.3 110.275 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -112.41 -31.11 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 72.3 109.256 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -53.58 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 65.43 110.389 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' HD21 ' A' ' 73' ' ' LEU . 2.0 mm? -56.21 145.31 57.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 74.32 109.302 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 175.48 11.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 74.43 110.949 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -76.19 109.55 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.0 109.251 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.46 146.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 72.3 109.276 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' N ' HD13 ' A' ' 47' ' ' LEU . 4.0 m-20 -42.29 -35.27 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 70.44 109.229 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.52 -166.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 64.03 109.33 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' ' HG3' ' A' ' 36' ' ' GLU . 4.2 m -113.15 -22.09 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.23 110.407 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 5.1 mtmm -95.77 128.86 43.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 74.5 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' B' ' 339' ' ' THR . 84.3 m-85 -140.37 133.58 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 72.04 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.585 HD23 ' CE3' ' B' ' 338' ' ' TRP . 5.9 mt -98.01 103.29 15.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 74.13 109.326 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.507 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.1 t -90.07 142.39 28.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 73.55 109.26 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 127.75 10.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 72.21 110.93 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -78.12 1.88 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 73.21 109.386 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CD2' ' CG1' ' A' ' 58' ' ' VAL . 8.9 p-80 -95.57 -11.64 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 74.42 109.586 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.483 ' CG2' ' HG2' ' A' ' 55' ' ' PRO . 1.6 m -112.83 -173.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 73.11 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.421 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.1 OUTLIER -109.19 172.48 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.01 109.274 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.49 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.4 ppp? -61.45 -25.72 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 75.42 111.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.467 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -57.19 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 60.52 110.04 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 4.8 mt-10 -42.06 -52.39 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 65.32 110.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' CD1' HG12 ' A' ' 67' ' ' ILE . 3.0 tp -42.81 -42.65 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 75.35 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.07 -58.42 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 73.44 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 45.6 mttt -54.81 -36.42 64.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 65.21 109.36 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' B' ' 342' ' ' SER . 12.7 mt -69.5 -32.38 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 73.3 109.252 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.3 mm -73.36 -67.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 74.11 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.567 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 25.6 ptt180 -41.78 -42.07 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 75.11 110.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' NE ' ' HB2' ' B' ' 347' ' ' ASP . 0.1 OUTLIER -61.24 -42.62 98.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 73.23 110.268 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -61.79 -41.15 97.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 71.15 110.28 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.1 mt -73.53 -13.91 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 72.23 109.31 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 40.39 49.49 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 75.43 110.288 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD21 ' CD1' ' A' ' 44' ' ' LEU . 1.2 mt -84.25 -176.25 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 75.2 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -117.0 -174.87 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 74.2 109.304 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.96 60.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 64.32 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -74.84 -28.32 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 74.34 109.333 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.514 HE21 ' N ' ' A' ' 78' ' ' ALA . 29.5 tp60 -92.6 118.98 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.3 110.251 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.514 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -88.81 137.8 31.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 75.3 109.291 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -135.71 133.31 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.54 111.033 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.494 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.8 m-85 -143.35 125.12 15.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 74.22 110.998 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -91.58 115.1 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 75.43 109.273 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.1 mm? -90.29 106.99 18.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.12 109.344 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.592 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 3.1 t -77.7 111.32 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 75.33 109.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 67.2 9.76 7.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 73.33 109.256 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 10.45 37.36 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.472 1.108 . . . . 75.13 111.001 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 23.6 p80 -130.62 139.64 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 74.02 109.591 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.453 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.0 OUTLIER -58.05 172.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 72.54 110.032 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -130.83 30.41 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 74.41 110.991 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.458 ' CG2' ' OE1' ' A' ' 117' ' ' GLU . 89.7 t -56.15 -18.5 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 72.21 109.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' SER . 32.5 t -104.72 27.12 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 61.44 110.041 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.49 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -45.61 94.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 75.24 109.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.3 OUTLIER -129.37 9.1 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.42 110.003 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 15.8 m -124.8 145.23 49.13 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 72.01 110.44 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 140.91 26.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.759 . . . . 74.22 111.046 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.472 ' CD1' HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -49.89 -22.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.51 109.364 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' OD1' ' A' ' 56' ' ' ASP . 61.8 p -68.82 -39.96 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 73.11 109.976 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 101' ' ' SER . 20.6 mm-40 -86.4 -53.46 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 74.43 110.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.45 HG22 ' CG2' ' A' ' 93' ' ' THR . 3.3 t -41.9 -29.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 74.24 109.256 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CD1' HG23 ' A' ' 31' ' ' ILE . 30.3 t80 -76.58 -57.66 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.42 110.975 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -70.71 -4.36 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.24 110.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -108.73 -5.0 16.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 63.15 109.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' ARG . 7.3 mm-40 -130.25 -58.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 75.1 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.62 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 74.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.448 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -92.82 169.39 10.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 52.11 109.282 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -44.2 -41.33 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.427 1.079 . . . . 74.25 110.246 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.542 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 18.7 p-10 -40.65 -44.67 2.2 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 72.31 109.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.492 ' O ' ' CG1' ' A' ' 20' ' ' VAL . . . 100.67 44.1 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 52.32 110.943 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -149.81 131.87 15.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.782 . . . . 73.31 110.997 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.443 ' CD1' ' HE2' ' A' ' 111' ' ' MET . 2.3 mt -79.49 148.71 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 71.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.777 ' CD1' ' CE1' ' A' ' 7' ' ' PHE . 76.6 m-85 -135.05 106.8 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 75.44 110.991 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.443 ' HE2' ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -128.39 144.01 51.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 71.41 110.977 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.521 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -109.59 135.62 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 74.1 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 1.6 p90 -113.98 142.49 46.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 73.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -161.51 178.44 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 72.12 109.247 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.452 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -90.48 30.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 63.34 110.023 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -149.24 137.71 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 70.45 110.307 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 2.4 tt0 -119.39 -7.02 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 74.01 110.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.3 p -120.59 6.81 10.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 62.51 110.403 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 120' ' ' GLY . 24.9 p90 -37.74 -42.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.13 110.973 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.514 1.134 . . . . 75.54 111.003 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.515 0.197 . . . . 72.43 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 53.7 p -118.11 88.85 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 65.52 109.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 98.22 154.5 29.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 71.33 110.95 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -62.72 -73.13 0.56 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.984 -0.847 . . . . 53.43 110.984 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -83.86 66.11 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 71.13 109.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . 0.426 ' HB2' ' OD2' ' B' ' 337' ' ' ASP . 10.9 p-10 -55.07 -52.23 63.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 73.32 109.339 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' B' ' 336' ' ' ASP . 0.2 OUTLIER -143.18 160.68 39.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 74.41 109.288 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.789 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -96.63 -154.39 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.43 108.024 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -91.01 155.17 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.25 110.418 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 126.56 51.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 75.33 109.57 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 4.7 mt -107.43 106.0 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.23 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 25.7 m -109.32 164.06 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 63.13 109.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.485 ' O ' ' CG2' ' B' ' 346' ' ' VAL . 2.9 p -90.98 -8.52 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 65.44 110.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.471 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.9 -22.66 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 73.3 109.249 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -85.75 -6.42 59.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 61.52 110.286 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' B' ' 343' ' ' SER . 17.2 m -63.5 -175.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 74.23 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . 0.413 ' HB2' ' NE ' ' A' ' 69' ' ' ARG . 7.7 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 64.45 109.331 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.994 -0.372 . . . . 63.31 109.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.68 94.17 39.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 74.03 110.953 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -169.3 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 72.22 110.948 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -79.53 -176.89 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 60.34 109.981 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -87.88 158.11 18.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 71.45 110.26 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -71.08 160.18 33.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.162 . . . . 74.11 109.28 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' LYS . 13.9 p -92.42 145.4 24.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 71.24 110.428 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.564 ' CD1' ' HG2' ' A' ' 36' ' ' GLU . 96.9 m-85 -38.04 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.544 1.153 . . . . 75.3 110.943 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' THR . 13.8 ptpt -76.38 -53.35 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.23 109.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' THR . 5.3 mm100 -69.11 -65.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 60.23 110.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -38.64 -70.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 73.14 110.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.03 119.57 17.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 72.24 110.253 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.22 129.58 28.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 61.51 109.943 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -46.42 -62.55 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 71.11 111.053 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -52.14 -21.07 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 75.23 110.313 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -85.28 -28.88 25.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 75.04 110.312 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.66 ' NH2' ' CE1' ' A' ' 110' ' ' TYR . 7.4 ttt180 -89.28 -21.61 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 74.24 110.341 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.1 m -75.63 -37.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 73.55 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -52.91 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 74.55 110.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.81 -53.12 6.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 75.14 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.558 HG22 ' CE2' ' A' ' 108' ' ' PHE . 2.3 t -47.34 -45.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 74.15 109.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -44.36 -38.24 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 73.35 110.334 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.0 mt -71.4 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 71.15 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.555 ' HB ' ' CZ2' ' B' ' 338' ' ' TRP . 1.1 tp -48.99 -25.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 75.23 109.252 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -77.3 -35.93 54.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 74.04 110.262 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -89.83 -12.06 40.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 75.54 110.344 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 47.6 mt-30 -108.95 -20.59 12.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 74.23 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 35.3 m-70 -158.92 74.07 3.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.54 109.587 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -28.47 9.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.566 1.824 . . . . 74.04 111.015 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -89.31 20.4 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.21 110.378 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -127.57 148.28 50.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 75.02 109.37 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.566 HG21 ' CD2' ' A' ' 99' ' ' TYR . 17.8 mm -97.95 114.92 65.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 70.42 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.579 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -74.99 137.48 21.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 60.01 110.982 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.04 161.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 72.13 109.352 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.544 ' CG2' ' NH2' ' A' ' 16' ' ' ARG . 5.3 mm -135.11 95.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 73.34 109.329 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.9 126.37 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 71.31 109.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.564 ' HG2' ' CD1' ' A' ' 7' ' ' PHE . 4.7 mp0 -123.4 173.1 8.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 73.35 110.27 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -83.55 133.24 34.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.24 110.251 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -57.62 137.88 55.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 72.52 110.985 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 15.1 ptmt -60.04 96.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 73.55 109.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.07 19.61 8.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 74.45 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 8.6 tp10 -111.67 105.18 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 74.3 110.232 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -33.85 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 72.3 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -38.69 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 65.43 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 115' ' ' SER . 5.8 mt -54.79 151.7 14.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.32 109.328 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 74.43 111.068 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.5 113.85 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 73.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.4 HD13 ' N ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.52 146.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 72.3 109.315 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 9.1 t0 -47.94 -37.68 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 70.44 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -154.54 -175.28 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 64.03 109.291 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.8 m -114.09 -16.82 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 64.23 110.384 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 16.1 mtmm -102.73 131.26 49.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.5 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -140.5 143.3 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 72.04 110.976 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.586 HD21 ' CE3' ' B' ' 338' ' ' TRP . 9.9 mt -106.54 104.59 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 74.13 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.7 t -87.36 141.1 32.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 73.55 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.519 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 18.5 Cg_endo -75.0 128.85 11.81 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.415 1.745 . . . . 72.21 111.019 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -83.4 51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 73.21 109.321 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.4 p80 -155.95 25.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 74.42 109.655 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.25 -159.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 73.11 109.342 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -122.55 152.15 40.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 71.01 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.494 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.4 ppp? -43.64 -25.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 75.42 110.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.473 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.64 -56.94 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 60.52 110.026 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -41.99 -49.23 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 65.32 110.293 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.467 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -44.11 -47.07 8.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 75.35 109.312 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.446 HD11 ' N ' ' A' ' 64' ' ' ILE . 4.9 mm -60.92 -50.29 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 73.44 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -49.67 -38.08 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 65.21 109.301 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.464 ' CG2' HD13 ' B' ' 341' ' ' LEU . 2.7 mm -71.36 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 73.3 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.697 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 20.6 mm -41.7 -68.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.11 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.563 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 11.3 ptm180 -43.99 -44.15 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 75.11 110.362 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HG3' ' CB ' ' B' ' 346' ' ' VAL . 0.8 OUTLIER -61.27 -35.86 78.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 73.23 110.235 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.2 mmp_? -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 71.15 110.277 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.46 -13.71 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.23 109.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 41.14 45.14 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 75.43 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.457 ' CD2' ' HG2' ' A' ' 77' ' ' GLN . 4.6 mt -77.0 -176.09 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 75.2 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.96 -174.94 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 74.2 109.26 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.92 58.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 64.32 109.316 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.13 -24.62 24.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 74.34 109.294 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.524 HE21 ' N ' ' A' ' 78' ' ' ALA . 30.6 tp60 -87.74 120.6 29.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 75.3 110.404 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.524 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -88.41 139.41 30.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 75.3 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.697 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.1 t80 -139.94 134.63 31.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 75.54 111.02 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.474 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.5 m-85 -143.38 128.74 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 74.22 111.026 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -94.03 109.62 21.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 75.43 109.253 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 2.8 mm? -84.07 111.84 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 74.12 109.3 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.604 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 18.3 t -81.42 111.66 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 75.33 109.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.36 11.25 7.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.33 109.351 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.39 8.02 41.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 75.13 110.946 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.604 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.4 p80 -128.42 130.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 0.806 . . . . 74.02 109.581 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.44 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 0.2 OUTLIER -57.62 172.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 72.54 110.001 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.446 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -121.97 39.59 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 74.41 110.99 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' MET . 20.9 t -39.53 -30.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 72.21 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' MET . 11.8 p -116.15 102.45 9.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 61.44 110.08 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.494 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -106.91 88.46 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 75.24 109.266 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -125.94 14.34 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.42 110.047 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 27.9 m -124.66 144.33 46.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 72.01 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.94 141.18 26.51 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.528 1.804 . . . . 74.22 111.04 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.466 ' CD1' HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -51.68 -22.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 74.51 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -69.26 -37.9 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 73.11 109.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' GLU . 29.8 mm-40 -86.54 -51.99 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 74.43 110.23 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.7 t -44.88 -34.73 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 74.24 109.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.569 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -81.19 -34.07 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.42 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 pt-20 -79.04 -3.98 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 74.24 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -116.74 1.78 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 63.15 109.925 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 103' ' ' ARG . 5.7 mm-40 -130.24 -50.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 75.1 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.5 ppt_? -36.67 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 74.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.73 -175.68 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 52.11 109.267 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -39.53 -56.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 74.25 110.318 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -47.14 -46.45 23.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.31 109.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 100.69 21.76 12.07 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.54 1.15 . . . . 52.32 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.711 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -111.0 131.03 55.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 0.827 . . . . 73.31 111.047 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.74 133.54 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 71.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 91.8 m-85 -114.86 107.26 15.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 75.44 111.041 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.7 mtt -134.64 146.29 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 71.41 110.981 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.514 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.8 t -115.06 142.82 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 74.1 109.318 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 1.5 p90 -115.97 152.78 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 73.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.95 178.05 9.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 72.12 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.536 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 27.5 t -92.13 20.23 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 63.34 109.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -150.23 150.2 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 70.45 110.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.57 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 2.6 tt0 -124.33 -1.66 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 74.01 110.321 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.4 p -134.85 54.3 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 62.51 110.322 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' ' 38' ' ' TYR . 47.4 p90 -97.59 -22.07 16.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.13 110.971 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.523 1.139 . . . . 75.54 111.005 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.517 0.198 . . . . 72.43 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 11.5 t -50.09 -35.29 24.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 65.52 109.994 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 158.17 65.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 71.33 111.048 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 153.11 174.65 23.69 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.025 -0.83 . . . . 53.43 111.025 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.447 ' OD1' ' CE ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -101.3 76.66 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 71.13 109.389 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . 0.404 ' O ' ' OE1' ' A' ' 26' ' ' GLN . 11.0 t70 -40.91 -69.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.32 109.344 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . 0.401 ' N ' ' OD2' ' B' ' 337' ' ' ASP . 13.3 p-10 -139.81 136.61 34.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 74.41 109.309 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.711 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 19.3 m0 -68.24 -77.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.43 107.966 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.515 ' CG2' ' CD2' ' B' ' 341' ' ' LEU . 0.6 OUTLIER -160.66 -177.22 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 75.25 110.402 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.45 113.98 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 75.33 109.552 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.1 OUTLIER -86.56 85.99 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 73.23 109.342 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.447 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -91.41 124.19 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 63.13 110.018 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 1.3 p -82.02 0.03 42.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 65.44 109.997 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.1 -35.47 20.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 73.3 109.246 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.69 -4.09 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 61.52 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.455 ' CB ' ' HG3' ' A' ' 69' ' ' ARG . 2.7 m -99.63 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 74.23 109.339 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 64.45 109.362 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.402 ' O ' ' HG2' ' A' ' 1' ' ' MET . 14.4 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.001 -0.37 . . . . 63.31 110.001 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 0' ' ' SER . 0.0 OUTLIER 55.08 165.36 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 74.03 111.014 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -59.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 72.22 111.066 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -39.99 158.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 60.34 110.066 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LYS . 6.9 pt-20 -124.81 159.06 31.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.45 110.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' GLU . 15.4 mtpt -53.38 -173.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 74.11 109.251 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' GLN . 65.2 p -121.93 155.05 36.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 71.24 110.407 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.476 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 55.8 m-85 -45.4 -24.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 75.3 111.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 16.8 ptpt -77.49 -41.88 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 74.23 109.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' THR . 65.8 mt-30 -88.64 -63.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 60.23 110.326 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.2 tpt85 -38.87 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 73.14 110.268 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.1 137.58 58.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 72.24 110.332 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 15' ' ' GLN . 52.3 m -64.81 116.82 6.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.476 1.11 . . . . 61.51 109.934 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 -41.43 -58.52 1.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 71.11 110.993 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.63 -34.41 26.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 75.23 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' SER . 5.4 tp-100 -75.01 -36.93 61.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 75.04 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -16.16 59.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 74.24 110.261 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 13' ' ' PHE . 46.0 t -79.37 -60.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 73.55 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.98 -31.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.55 110.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.486 ' OD1' ' CE ' ' A' ' 51' ' ' LYS . 4.4 t0 -57.41 -65.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 75.14 109.308 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -50.6 -46.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 74.15 109.282 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -44.64 -37.33 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 73.35 110.337 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 1.5 mt -63.56 -65.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 71.15 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.565 HD12 ' CD1' ' B' ' 338' ' ' TRP . 1.3 mp -57.64 -17.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 75.23 109.294 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -78.4 -33.76 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 74.04 110.289 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.98 -9.76 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 75.54 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' LEU . 34.6 mt-30 -107.45 -46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.23 110.238 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CG ' HD12 ' A' ' 53' ' ' LEU . 28.7 m-70 -124.85 74.23 64.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.54 109.601 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.11 11.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 74.04 111.02 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -87.99 17.17 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.21 110.354 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -131.16 163.79 26.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 75.02 109.299 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 99' ' ' TYR . 22.7 mm -111.17 116.91 50.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 70.42 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.02 139.97 24.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 60.01 110.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -146.06 162.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 72.13 109.249 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.543 ' CG2' ' OE1' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -130.65 112.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 73.34 109.269 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 52' ' ' PHE . 1.7 mm -106.57 134.87 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 71.31 109.263 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.543 ' OE1' ' CG2' ' A' ' 34' ' ' ILE . 1.8 pm0 -154.32 158.14 39.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 73.35 110.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -66.43 149.71 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 73.24 110.308 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.556 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 1.8 t80 -67.11 141.26 57.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 72.52 111.038 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.519 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 23.5 mtmt -57.41 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 73.55 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.64 6.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 74.45 110.961 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 9.4 tp10 -111.66 103.89 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 74.3 110.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -110.98 -28.6 8.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 72.3 109.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.0 mm-40 -38.84 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 65.43 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.94 157.04 6.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 74.32 109.267 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 166.48 29.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 74.43 110.976 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.03 135.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 73.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 140.81 58.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 72.3 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -44.29 -46.19 9.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 70.44 109.298 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -144.8 -176.44 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 64.03 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.7 m -116.99 -10.08 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 64.23 110.404 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 12.2 mtmm -113.26 132.62 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 74.5 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 35' ' ' ILE . 24.1 m-85 -137.13 149.6 47.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 72.04 110.984 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 23' ' ' ILE . 36.9 mt -116.64 104.01 10.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 74.13 109.331 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.6 t -88.43 141.58 30.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 73.55 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.99 124.67 8.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 72.21 111.04 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 19.2 p-10 -76.43 57.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.21 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.8 p-80 -163.28 29.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.42 109.624 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 m -147.63 -158.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 73.11 109.255 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.07 154.76 32.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 71.01 109.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.477 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 1.5 ppp? -52.71 -21.96 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 75.42 110.976 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -61.7 -35.12 77.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 60.52 110.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.61 -50.59 69.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 65.32 110.327 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.446 ' CD2' ' CE ' ' A' ' 111' ' ' MET . 6.7 tp -53.57 -36.35 61.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.35 109.26 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.13 -32.71 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 73.44 109.308 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -79.2 -39.94 32.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 65.21 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' B' ' 342' ' ' SER . 11.9 mm -65.7 -30.53 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 73.3 109.247 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 79' ' ' PHE . 9.6 mm -72.51 -69.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.11 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.568 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -41.52 -36.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 75.11 110.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 4.5 mmm180 -58.17 -46.68 85.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 73.23 110.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' CD ' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.53 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 71.15 110.338 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' HB3' ' CG ' ' A' ' 73' ' ' LEU . 8.3 mt -60.39 -16.97 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 72.23 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' LEU . 23.3 pt20 38.57 47.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 75.43 110.346 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -83.96 -178.3 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 75.2 109.304 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 4.4 m120 -129.92 -175.02 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 74.2 109.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.93 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 64.32 109.346 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -51.55 -40.22 59.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 74.34 109.316 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 74' ' ' ASN . 50.5 tp60 -91.68 138.01 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 75.3 110.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.63 127.65 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 75.3 109.318 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 68' ' ' ARG . 1.1 t80 -116.6 134.55 54.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.54 110.975 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.528 ' CD1' ' CB ' ' A' ' 117' ' ' GLU . 5.9 m-85 -143.41 121.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 74.22 110.994 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' CD1' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -92.5 135.94 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 75.43 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 1.8 mm? -116.3 104.87 11.93 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 74.12 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.585 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 3.2 t -73.16 108.91 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 75.33 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.34 24.04 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 73.33 109.234 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.79 7.83 77.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 75.13 110.99 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 11.5 p80 -130.22 139.69 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 74.02 109.584 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -57.47 172.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 72.54 110.113 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.412 ' HG2' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -120.06 19.34 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 74.41 111.069 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 90' ' ' SER . 7.1 p -40.56 120.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 72.21 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.5 OUTLIER 84.34 44.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 61.44 110.031 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.477 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -37.88 -77.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 75.24 109.3 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.475 ' N ' HG21 ' A' ' 91' ' ' VAL . 0.7 OUTLIER 38.23 30.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 74.42 109.964 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' VAL . 88.1 m -142.11 139.36 17.86 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 72.01 110.424 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.453 ' HG2' ' CG ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 137.95 22.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.464 1.771 . . . . 74.22 110.986 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -53.84 -20.69 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 74.51 109.279 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.0 p -70.7 -37.93 73.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 73.11 109.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' CG ' ' HG2' ' A' ' 94' ' ' PRO . 54.3 mm-40 -85.56 -47.47 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 74.43 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.9 t -52.72 -30.46 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 74.24 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 31' ' ' ILE . 5.0 t80 -82.16 -38.1 25.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.42 110.985 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -83.41 -3.94 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.24 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.2 m -112.32 5.83 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 63.15 110.062 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -135.34 -46.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 75.1 110.328 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.478 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.0 ppt_? -37.29 147.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 74.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.81 -174.91 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 52.11 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.96 -47.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 74.25 110.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.52 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 8.4 p-10 -49.66 -48.61 49.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 72.31 109.329 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 98.83 12.45 43.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 52.32 110.97 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -114.34 134.34 55.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 73.31 111.041 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.551 HD22 ' CD2' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -77.88 135.58 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 71.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.453 ' CE2' ' OD1' ' A' ' 106' ' ' ASP . 89.5 m-85 -112.78 120.91 43.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 75.44 111.004 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.446 ' CE ' ' CD2' ' A' ' 63' ' ' LEU . 4.2 mtt -130.96 150.29 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 71.41 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.556 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -135.27 119.68 26.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 74.1 109.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 4.1 p90 -100.82 153.25 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -166.96 179.03 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 72.12 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.2 t -87.66 20.43 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 63.34 109.985 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.567 ' HB3' ' CD1' ' A' ' 119' ' ' PHE . 14.8 mt-30 -149.85 136.43 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.45 110.248 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.528 ' CB ' ' CD1' ' A' ' 80' ' ' PHE . 5.2 tt0 -120.7 -5.85 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.01 110.348 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.3 p -110.31 -26.5 9.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 62.51 110.365 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 116' ' ' GLN . 0.4 OUTLIER -54.76 -24.73 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 75.13 110.958 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.497 ' N ' ' CD1' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 75.54 111.017 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 12.1 ptt? . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.424 0.154 . . . . 72.43 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 27.3 t -99.47 106.41 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 65.52 109.978 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -130.11 8.52 6.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 71.33 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.47 -165.35 32.4 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.997 -0.841 . . . . 53.43 110.997 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.78 58.9 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 71.13 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -48.39 -56.76 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 73.32 109.277 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -141.84 112.47 7.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.41 109.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.789 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 16.5 m0 -46.87 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.43 108.055 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER 179.33 124.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 75.25 110.4 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -79.46 118.35 21.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 75.33 109.583 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 3.6 mt -81.5 116.16 21.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.23 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -108.55 127.38 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 63.13 110.002 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.35 11.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 65.44 109.99 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -104.23 -23.01 13.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 73.3 109.319 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.84 -0.6 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.52 110.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 4.4 m -76.85 -179.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 74.23 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 64.45 109.306 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.01 -0.367 . . . . 63.31 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.8 pmm? -42.18 156.97 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 74.03 110.992 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -89.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.467 1.772 . . . . 72.22 111.054 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -66.7 165.68 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 60.34 110.02 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.434 ' CD ' ' NH2' ' A' ' 37' ' ' ARG . 11.3 pt-20 -89.58 150.81 22.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.602 1.189 . . . . 71.45 110.239 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 10' ' ' ARG . 35.2 mmtm -53.97 168.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 74.11 109.281 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.3 p -109.63 151.06 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 71.24 110.412 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.555 ' CD1' ' CD ' ' A' ' 36' ' ' GLU . 22.0 m-85 -47.79 -23.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 75.3 110.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -37.74 45.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 74.23 109.353 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -95.47 -66.09 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 60.23 110.334 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB2' ' CB ' ' A' ' 5' ' ' LYS . 28.8 tpt180 -38.67 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 73.14 110.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -50.31 137.53 18.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 72.24 110.257 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -72.83 128.81 36.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 61.51 109.944 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 1.1 t80 -44.67 -63.98 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 71.11 110.963 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.06 -19.18 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 75.23 110.342 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.9 OUTLIER -85.39 -29.28 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 75.04 110.301 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' CG ' ' HB3' ' A' ' 11' ' ' ARG . 15.1 mtp85 -90.42 -21.87 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 74.24 110.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.2 m -75.15 -39.0 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 73.55 109.333 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -64.58 -14.8 59.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.55 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.47 ' OD2' ' CE ' ' A' ' 51' ' ' LYS . 22.8 t0 -77.81 -59.1 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 75.14 109.272 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.32 -46.77 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 74.15 109.288 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 44.9 ttm-85 -38.29 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.35 110.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 2.7 mt -72.92 -64.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 71.15 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.574 HD13 ' CD1' ' B' ' 338' ' ' TRP . 1.2 mp -53.29 -20.75 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 75.23 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.72 -36.06 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 74.04 110.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -8.81 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.54 110.287 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -103.45 -54.2 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 74.23 110.328 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.509 ' CG ' HD13 ' A' ' 53' ' ' LEU . 10.8 m-70 -117.75 80.23 13.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.54 109.618 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -28.24 9.43 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 74.04 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -89.73 23.98 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 72.21 110.39 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -135.76 163.14 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 75.02 109.282 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.603 ' CG2' ' CG ' ' A' ' 99' ' ' TYR . 6.6 mm -116.26 120.38 35.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 70.42 109.283 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.562 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.502 1.791 . . . . 60.01 110.978 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.35 155.13 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 72.13 109.28 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.578 HG12 ' CE1' ' A' ' 108' ' ' PHE . 16.1 mm -128.03 102.31 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 73.34 109.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' CD1' HD11 ' A' ' 67' ' ' ILE . 29.2 mt -98.78 126.72 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 71.31 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.555 ' CD ' ' CD1' ' A' ' 7' ' ' PHE . 6.0 mm-40 -136.76 170.87 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 73.35 110.285 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' NH2' ' CD ' ' A' ' 4' ' ' GLU . 26.0 ptt180 -79.07 142.4 36.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 73.24 110.343 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.4 t80 -61.92 145.08 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 72.52 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.5 ptpp? -60.0 91.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 73.55 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.75 20.59 6.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 74.45 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.7 tp10 -111.08 103.91 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 74.3 110.282 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -111.91 -31.15 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 72.3 109.195 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.446 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 27.8 mm-40 -38.48 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 65.43 110.246 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 115' ' ' SER . 1.1 mp -55.99 156.52 9.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.32 109.347 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.06 165.2 31.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 74.43 110.992 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.2 t -81.68 122.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 73.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.525 ' HG ' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -40.09 141.68 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 72.3 109.321 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' N ' HD13 ' A' ' 47' ' ' LEU . 13.8 t0 -41.94 -42.76 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 70.44 109.263 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.477 ' HD3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -147.61 -167.59 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 64.03 109.299 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.408 HG23 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -114.36 -28.12 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 64.23 110.38 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 7.2 mtmm -96.45 129.71 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 74.5 109.287 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 60.1 m-85 -140.45 135.25 31.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 72.04 110.993 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 27' ' ' HIS . 37.4 mt -103.0 103.28 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 74.13 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 1.9 t -86.03 142.8 36.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.55 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.509 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.03 132.82 15.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.559 1.82 . . . . 72.21 110.953 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.11 11.79 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.21 109.321 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -106.98 -1.45 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.42 109.598 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 55' ' ' PRO . 4.7 m -119.86 -161.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 73.11 109.352 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -123.2 171.43 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 71.01 109.264 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.484 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.4 ppp? -61.0 -27.13 68.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 75.42 111.013 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.496 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -60.56 -57.82 11.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 60.52 110.074 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.84 -47.96 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 65.32 110.358 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -48.91 -41.24 33.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 75.35 109.31 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.427 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 24.6 mm -54.9 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 73.44 109.291 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -44.69 -38.78 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 65.21 109.265 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' B' ' 342' ' ' SER . 1.5 mm -62.76 -58.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 73.3 109.327 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.708 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 31.8 mm -43.89 -55.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 74.11 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.8 mtt180 -42.26 -55.92 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 75.11 110.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.55 -32.13 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 73.23 110.329 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -71.26 -51.27 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 71.15 110.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 0.1 OUTLIER -62.03 -22.55 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 72.23 109.313 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 22.8 pt20 45.04 55.18 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 75.43 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.406 ' CG ' ' HB3' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -93.71 -172.27 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 75.2 109.212 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -110.41 -174.75 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.2 109.348 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.94 -4.68 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 64.32 109.366 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -96.14 -29.81 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.34 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -80.9 138.67 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.3 110.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.15 143.82 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 75.3 109.346 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.708 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 2.6 t80 -141.91 133.67 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 75.54 111.0 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 22.4 m-85 -141.98 115.26 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 74.22 111.022 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.488 ' CD1' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -84.72 124.34 31.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 75.43 109.328 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -100.03 119.1 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.12 109.319 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.9 t -85.41 106.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 75.33 109.244 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.42 9.05 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 73.33 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.61 2.1 37.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 75.13 110.984 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 19.0 p80 -123.56 129.12 50.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 0.803 . . . . 74.02 109.583 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.452 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -57.55 172.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 72.54 109.945 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.61 40.83 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 74.41 110.992 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.3 p -38.63 -31.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.21 109.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.7 t -122.01 102.6 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 61.44 109.982 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.496 HG22 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -105.11 87.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 75.24 109.344 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.5 13.6 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 74.42 109.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 29.1 m -125.22 144.48 47.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.01 110.335 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.94 138.73 23.58 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.48 1.779 . . . . 74.22 111.062 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -47.53 -25.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 74.51 109.261 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -64.8 -44.37 90.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 73.11 110.032 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' SER . 43.6 mt-10 -79.46 -54.88 5.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.43 110.35 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 18.9 t -41.75 -33.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 74.24 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.603 ' CG ' ' CG2' ' A' ' 31' ' ' ILE . 2.7 t80 -78.46 -47.4 17.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 73.42 110.965 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -4.44 33.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.24 110.321 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -114.18 -1.17 13.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 63.15 110.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 10.5 mm-40 -126.37 -57.32 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 75.1 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.44 155.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 74.0 110.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' GLU . 4.0 t0 -111.24 -178.63 3.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 52.11 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' ASP . 10.1 mt-10 -38.44 -49.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 74.25 110.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' GLU . 18.4 p-10 -40.0 -51.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 72.31 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.472 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . 100.84 24.68 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 52.32 111.03 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.783 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -129.88 133.59 46.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 73.31 111.052 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.446 HD12 ' CE ' ' A' ' 111' ' ' MET . 3.7 mt -79.2 148.65 32.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 71.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.38 107.13 7.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 75.44 110.996 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.446 ' CE ' HD12 ' A' ' 109' ' ' LEU . 5.3 mtt -122.97 148.63 45.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 71.41 110.973 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.537 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 3.4 t -120.51 125.96 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 74.1 109.346 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 8.1 p90 -106.72 153.67 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 73.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.14 178.23 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 72.12 109.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.445 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 10.9 t -90.66 31.31 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 63.34 109.935 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 119' ' ' PHE . 3.6 pt20 -149.9 123.93 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.45 110.342 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 5.3 tt0 -107.6 -7.05 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 74.01 110.274 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.5 p -134.14 72.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 62.51 110.415 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.421 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 43.1 p90 -101.25 -37.88 8.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 75.13 111.063 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 75.54 110.985 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.484 0.183 . . . . 72.43 110.971 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 28.2 m -121.78 133.07 54.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 65.52 109.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -95.88 107.98 3.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 71.33 110.966 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 141.54 128.9 2.4 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 110.992 -0.843 . . . . 53.43 110.992 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -106.17 37.96 2.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 0.726 . . . . 71.13 109.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -75.63 -29.96 59.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.32 109.314 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.3 107.83 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.41 109.256 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.783 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.4 m0 -68.26 -153.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 73.43 107.969 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -96.83 156.18 16.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 75.25 110.385 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.91 130.99 55.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.33 109.574 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 63' ' ' LEU . 3.3 mt -98.82 123.8 43.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 73.23 109.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -124.37 127.1 47.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 63.13 109.989 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.74 11.86 14.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 65.44 110.038 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -25.38 13.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 73.3 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.1 -1.05 57.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 61.52 110.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 14.9 m -71.64 -173.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 74.23 109.195 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 37.2 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 64.45 109.339 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.019 -0.363 . . . . 63.31 110.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mmt -124.26 156.55 66.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 74.03 111.02 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -89.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.468 1.773 . . . . 72.22 111.045 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 4' ' ' GLU . 13.0 t -116.48 -179.24 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 60.34 109.965 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.6 tt0 -61.97 124.83 21.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 71.45 110.295 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -69.46 173.34 6.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 74.11 109.334 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -104.23 146.9 28.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 71.24 110.446 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.403 ' CG ' ' HG2' ' A' ' 36' ' ' GLU . 62.4 m-85 -43.21 -25.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.3 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HG2' ' CG2' ' A' ' 6' ' ' THR . 13.9 ptmt -78.1 -42.08 33.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 74.23 109.276 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' THR . 8.1 mm100 -83.2 -61.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 60.23 110.266 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . 17.0 tpt180 -36.76 -79.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 73.14 110.306 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' CB ' ' HD2' ' A' ' 16' ' ' ARG . 1.1 mpt_? -38.45 133.17 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 72.24 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' GLN . 4.1 m -70.68 126.42 29.56 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.414 1.071 . . . . 61.51 109.996 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 0.9 OUTLIER -44.87 -44.29 9.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.392 1.057 . . . . 71.11 110.976 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.85 -34.77 71.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 75.23 110.238 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' SER . 15.6 mm100 -79.38 -34.04 42.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.04 110.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.579 ' NH2' ' HD2' ' A' ' 19' ' ' ASP . 4.5 mmp_? -73.37 -28.16 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 74.24 110.311 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.0 t -77.79 -34.92 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 73.55 109.257 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -79.12 -37.69 38.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 74.55 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.579 ' HD2' ' NH2' ' A' ' 16' ' ' ARG . 8.2 t70 -57.87 -49.4 76.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 75.14 109.339 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -68.95 -48.97 67.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 74.15 109.334 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 62.7 ttt180 -43.66 -26.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 73.35 110.319 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD1' ' HA2' ' B' ' 334' ' ' GLY . 0.1 OUTLIER -74.72 -63.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 71.15 109.317 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.554 HD13 ' CD1' ' B' ' 338' ' ' TRP . 1.1 mp -51.7 -20.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 75.23 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 30' ' ' LYS . 2.5 mmp_? -67.34 -38.21 84.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.04 110.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' OE2' ' C ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -93.49 -37.4 11.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 75.54 110.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.484 ' C ' ' CD2' ' A' ' 27' ' ' HIS . 49.1 mt-30 -78.12 -22.45 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 74.23 110.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.515 ' CG ' HD11 ' A' ' 53' ' ' LEU . 32.1 m-70 -150.77 71.14 8.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.54 109.58 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.82 11.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.422 1.748 . . . . 74.04 110.955 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -88.12 12.08 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.21 110.38 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 7.9 mmtp -125.83 169.31 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 75.02 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.478 HG22 ' CG ' ' A' ' 99' ' ' TYR . 7.0 mm -119.69 121.01 30.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 70.42 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.4 Cg_endo -74.87 130.16 13.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 60.01 111.004 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.459 ' HB ' ' CE ' ' A' ' 111' ' ' MET . 1.5 m -140.9 159.36 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 72.13 109.279 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.545 HG12 ' CE1' ' A' ' 108' ' ' PHE . 20.4 mm -131.41 118.07 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 73.34 109.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.566 ' HB ' ' CE2' ' A' ' 52' ' ' PHE . 4.1 mm -103.75 127.46 57.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 71.31 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' OE1' ' CG2' ' A' ' 34' ' ' ILE . 2.3 mp0 -133.35 162.19 32.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 73.35 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -82.09 126.04 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.24 110.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.521 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 1.4 t80 -46.91 140.85 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 72.52 110.94 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -56.82 97.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 73.55 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CD ' ' A' ' 42' ' ' LYS . . . 112.88 14.65 9.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 74.45 111.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.575 ' OE1' ' CE1' ' A' ' 113' ' ' TYR . 6.0 tt0 -86.07 122.32 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 0.801 . . . . 74.3 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -124.05 -42.84 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 72.3 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -42.34 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 65.43 110.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 115' ' ' SER . 2.3 mm? -55.14 144.82 48.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 74.32 109.28 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 167.08 27.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 74.43 110.996 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.57 111.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 73.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.18 148.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 72.3 109.312 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -54.36 -43.28 71.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 70.44 109.351 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.454 ' HE2' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -142.81 -175.19 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 64.03 109.354 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' CD2' ' A' ' 52' ' ' PHE . 11.0 m -115.08 -32.29 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 64.23 110.375 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.544 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 6.5 mtmm -83.69 130.89 34.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 74.5 109.247 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE2' ' HB ' ' A' ' 35' ' ' ILE . 83.4 m-85 -140.43 135.34 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 72.04 111.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 27' ' ' HIS . 41.1 mt -104.33 104.06 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 74.13 109.319 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.1 t -87.45 142.27 32.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 73.55 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.499 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.04 131.93 14.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 72.21 110.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 6.0 p-10 -87.57 44.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 73.21 109.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -141.55 15.3 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.42 109.532 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.19 -164.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 73.11 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.22 161.69 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 71.01 109.287 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.479 ' CE ' HG22 ' A' ' 83' ' ' VAL . 2.1 ppp? -56.53 -20.54 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 75.42 110.972 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -53.47 54.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 60.52 110.026 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 20.5 mm-40 -42.12 -55.78 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 65.32 110.253 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -40.72 -46.57 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.35 109.308 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mm -53.38 -47.63 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 73.44 109.274 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' GLU . 37.4 mttt -62.01 -27.92 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 65.21 109.351 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' B' ' 342' ' ' SER . 3.5 mm -71.89 -58.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 73.3 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.636 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 10.5 mm -48.28 -62.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 74.11 109.335 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.574 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.9 ptm85 -50.41 -37.31 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 75.11 110.333 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' NH2' ' O ' ' B' ' 345' ' ' GLU . 11.4 mmm180 -69.09 -27.14 65.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 73.23 110.344 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -42.69 30.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 71.15 110.302 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 18.1 mt -70.38 -13.5 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 72.23 109.255 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.4 pt20 44.96 50.15 9.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 75.43 110.329 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt -86.94 -174.05 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 75.2 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -123.28 -175.79 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 74.2 109.241 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.22 71.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 64.32 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -64.34 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 74.34 109.261 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.425 ' NE2' ' OG ' ' A' ' 115' ' ' SER . 41.3 tp60 -87.89 127.12 35.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.3 110.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 115' ' ' SER . . . -98.09 129.96 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 75.3 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.636 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -130.56 136.89 49.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 75.54 111.032 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.473 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 14.3 m-85 -143.52 131.4 21.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 74.22 110.974 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 111' ' ' MET . 0.2 OUTLIER -102.39 118.66 37.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 75.43 109.279 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -95.74 101.23 12.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 74.12 109.333 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.593 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 3.0 t -66.57 110.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 75.33 109.329 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.43 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 2.0 m-20 67.08 22.54 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.33 109.251 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.49 4.99 72.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.56 1.162 . . . . 75.13 111.027 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 22.9 p80 -124.41 136.71 54.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 74.02 109.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 p -58.14 172.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 72.54 109.93 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.423 ' HE3' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -129.33 15.09 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 74.41 111.032 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.485 ' CG2' ' OE1' ' A' ' 117' ' ' GLU . 88.9 t -40.45 122.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.21 109.272 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.4 t 81.97 50.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 61.44 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -40.39 100.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 75.24 109.297 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -114.32 24.91 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.42 110.041 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 94' ' ' PRO . 43.8 m -157.11 139.36 10.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.01 110.392 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 93' ' ' THR . 18.0 Cg_endo -75.06 147.03 33.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.452 1.764 . . . . 74.22 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.475 ' CD1' HG13 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -55.45 -19.3 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.51 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.1 67.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.11 110.025 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 101' ' ' SER . 15.8 mm-40 -93.25 -52.28 4.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 74.43 110.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 6.6 t -42.74 -29.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 74.24 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 7.2 t80 -75.73 -58.99 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.204 . . . . 73.42 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 1.8 pt-20 -69.48 -6.65 31.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 74.24 110.265 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' GLU . 10.9 m -106.1 -2.11 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 1.129 . . . . 63.15 110.022 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' OE1' ' NE2' ' A' ' 86' ' ' HIS . 16.3 mm-40 -131.27 -60.82 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 75.1 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.81 146.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 74.0 110.26 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ASP . 2.0 t0 -100.92 176.8 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.11 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -39.06 -30.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 74.25 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.558 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -53.6 -51.69 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 72.31 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.451 ' O ' ' CG2' ' A' ' 20' ' ' VAL . . . 101.16 10.9 40.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.449 1.093 . . . . 52.32 111.016 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.651 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -117.69 127.47 53.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 73.31 111.068 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 34' ' ' ILE . 4.4 mt -80.27 136.47 36.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 71.0 109.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.457 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 97.3 m-85 -119.07 107.16 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.44 110.981 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.459 ' CE ' ' HB ' ' A' ' 33' ' ' VAL . 20.0 mtt -115.41 148.07 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 71.41 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.544 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.4 t -123.85 114.51 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 74.1 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.575 ' CE1' ' OE1' ' A' ' 41' ' ' GLU . 4.6 p90 -102.14 161.91 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 73.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.25 179.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 72.12 109.295 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.427 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -87.06 23.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 63.34 110.014 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -149.67 133.46 16.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 70.45 110.352 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 5.4 tt0 -116.14 -7.45 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 74.01 110.362 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.4 p -130.96 18.67 5.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 62.51 110.41 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' A' ' 120' ' ' GLY . 18.7 p90 -41.29 -48.89 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 75.13 111.045 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.485 ' N ' ' CD2' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.518 1.136 . . . . 75.54 111.026 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 11.8 mmt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.494 0.188 . . . . 72.43 110.994 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 67.6 p -47.8 173.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 65.52 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -158.97 93.66 0.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 71.33 111.051 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . 138.89 154.12 6.32 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.956 -0.858 . . . . 53.43 110.956 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' B' ' 336' ' ' ASP . 3.3 m-20 -69.94 -68.06 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 71.13 109.273 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' B' ' 337' ' ' ASP . 0.1 OUTLIER 164.26 109.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 73.32 109.363 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' B' ' 336' ' ' ASP . 6.8 p30 -27.34 117.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 74.41 109.311 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.651 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -65.13 -155.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.43 107.945 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 5.4 t -95.82 149.98 20.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 75.25 110.348 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.86 120.97 40.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 75.33 109.63 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.47 HD21 ' CG2' ' A' ' 66' ' ' ILE . 2.8 mt -94.41 116.36 28.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 73.23 109.365 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -113.71 126.09 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 63.13 109.931 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.435 ' O ' ' CG2' ' B' ' 346' ' ' VAL . 3.9 p -79.95 -2.06 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 65.44 110.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -29.36 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 73.3 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . 0.443 ' O ' ' NH2' ' A' ' 69' ' ' ARG . 45.1 mt-10 -77.74 -7.01 55.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 61.52 110.273 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 66' ' ' ILE . 10.3 m -78.86 176.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 74.23 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 64.45 109.296 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.049 -0.352 . . . . 63.31 110.049 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -69.87 153.1 95.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 74.03 111.04 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.19 9.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 72.22 110.95 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -93.39 -176.39 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 60.34 109.98 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.81 155.02 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 71.45 110.323 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -51.59 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.11 109.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.9 p -123.52 152.47 41.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 71.24 110.4 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.556 ' CE2' HG22 ' A' ' 50' ' ' THR . 26.3 m-85 -46.25 -24.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 75.3 111.038 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 3.7 ptmm? -77.36 -41.08 41.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 74.23 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.7 mt-30 -89.45 -62.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 60.23 110.284 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 6' ' ' THR . 18.4 tpt180 -46.8 -74.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 73.14 110.264 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -64.33 128.63 36.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 72.24 110.323 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' GLN . 51.8 m -76.23 123.08 25.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 61.51 109.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -39.06 -52.55 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.11 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -47.81 -42.21 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 75.23 110.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.3 mm100 -65.18 -40.93 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 75.04 110.229 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' NH1' ' HA ' ' A' ' 8' ' ' LYS . 68.6 mtm180 -69.2 -25.24 64.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.513 1.133 . . . . 74.24 110.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.6 t -73.22 -45.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 73.55 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.62 -49.0 76.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.55 110.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NE1' ' B' ' 338' ' ' TRP . 1.9 t70 -48.8 -39.11 24.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 75.14 109.296 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 2.5 t -68.25 -36.68 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 74.15 109.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -52.53 -21.6 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 73.35 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -92.82 -63.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 71.15 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.419 HD12 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -49.64 -22.9 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 75.23 109.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 6.8 mmt180 -76.1 -36.65 58.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 74.04 110.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.44 -4.58 34.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 75.54 110.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' LEU . 36.3 mt-30 -106.4 -53.33 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.23 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.475 ' CG ' HD11 ' A' ' 53' ' ' LEU . 5.4 m-70 -120.94 81.13 34.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.54 109.62 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.88 -35.26 3.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 74.04 111.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -89.91 33.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 72.21 110.377 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -138.52 148.34 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 75.02 109.28 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.564 HG23 ' CD2' ' A' ' 99' ' ' TYR . 28.0 mm -101.9 113.86 65.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 70.42 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 18.4 Cg_endo -74.99 136.46 20.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 60.01 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -146.39 149.05 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 72.13 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.0 mm -120.86 95.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 73.34 109.318 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.4 mt -92.19 127.65 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 71.31 109.322 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' CD ' ' CD1' ' A' ' 7' ' ' PHE . 19.3 mt-10 -127.77 168.53 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 73.35 110.289 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -79.73 132.24 36.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.24 110.337 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.554 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 1.8 t80 -58.16 131.45 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 72.52 110.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 3.8 ptmm? -51.18 102.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 73.55 109.327 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.34 13.1 12.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 74.45 110.972 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.51 103.93 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 74.3 110.309 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.95 -33.84 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.3 109.274 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.451 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 18.4 mm-40 -51.35 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 65.43 110.32 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.2 mt -54.83 147.58 31.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 74.32 109.267 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.555 1.818 . . . . 74.43 110.954 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.53 131.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 73.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -61.44 147.79 43.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 72.3 109.329 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' CB ' ' HD2' ' A' ' 49' ' ' LYS . 2.3 m-20 -46.98 -40.96 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 70.44 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.454 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -153.81 -174.11 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 64.03 109.34 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.556 HG22 ' CE2' ' A' ' 7' ' ' PHE . 24.4 m -112.55 -29.42 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 64.23 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 8.9 mtmm -88.72 123.58 33.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 74.5 109.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -132.27 146.2 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 72.04 111.033 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 27' ' ' HIS . 59.1 mt -113.84 103.76 11.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 74.13 109.31 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.504 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.1 t -87.71 142.38 32.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 73.55 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.04 133.11 16.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.789 . . . . 72.21 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 4.4 p-10 -86.34 44.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.21 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.636 ' CE1' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.31 14.52 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 74.42 109.562 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.636 ' CG1' ' CE1' ' A' ' 57' ' ' HIS . 24.4 m -137.34 -165.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 73.11 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.52 157.62 24.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 71.01 109.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.493 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.1 ppp? -47.35 -24.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.142 . . . . 75.42 110.954 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.472 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.4 -52.18 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 60.52 110.035 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' LYS . 6.5 mm-40 -44.84 -49.85 10.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.32 110.343 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.06 -40.0 43.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 75.35 109.269 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.479 HD12 ' CD1' ' A' ' 63' ' ' LEU . 27.9 mm -62.86 -30.44 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 73.44 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -75.71 -31.39 59.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 65.21 109.345 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' B' ' 342' ' ' SER . 13.5 mm -70.96 -54.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 73.3 109.34 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.564 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 14.0 mm -52.18 -61.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 74.11 109.323 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' NH2' HG21 ' A' ' 64' ' ' ILE . 5.5 ptp180 -56.78 -22.4 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 75.11 110.348 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 5.3 mmt180 -79.76 -24.73 41.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 73.23 110.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' CD ' HG23 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -84.16 -46.14 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 71.15 110.268 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLN . 6.9 mt -66.44 -25.04 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.23 109.301 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' LEU . 25.6 pt20 37.47 49.72 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 75.43 110.243 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -173.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 75.2 109.351 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 76' ' ' ASN . 19.7 p30 -104.41 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 74.2 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.67 59.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 64.32 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.415 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . 7.7 t-20 -83.4 -28.39 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.34 109.32 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -86.09 138.17 32.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 75.3 110.316 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 115' ' ' SER . . . -113.56 128.69 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.3 109.348 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -120.94 141.93 50.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.54 110.971 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.93 132.96 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 74.22 110.983 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.448 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -98.33 122.58 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 75.43 109.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 81' ' ' LEU . 2.5 mm? -105.12 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 74.12 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 86' ' ' HIS . 4.0 t -76.14 111.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.33 109.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 66.86 10.92 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 73.33 109.254 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.96 11.61 39.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 75.13 111.014 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.566 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.0 p80 -131.23 143.59 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 74.02 109.658 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 83.7 p -57.81 166.67 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 72.54 109.963 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.78 11.48 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 74.41 111.015 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' SER . 6.4 p -39.44 133.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 72.21 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 86.16 22.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 61.44 109.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.493 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.37 97.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 75.24 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' SER . 18.8 t -131.86 9.42 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.42 109.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 96.7 m -119.99 143.64 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 72.01 110.36 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.96 139.56 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 74.22 111.028 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.425 ' CD1' HG12 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.29 -23.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.51 109.229 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -68.59 -39.21 81.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 73.11 109.976 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 40.7 mm-40 -85.13 -48.63 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 74.43 110.362 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 38.9 t -48.15 -34.95 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 74.24 109.288 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.565 ' CD2' HD22 ' A' ' 109' ' ' LEU . 1.2 t80 -80.94 -34.85 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 73.42 110.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -82.86 -4.24 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.24 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 m -114.57 5.61 15.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 63.15 109.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 103' ' ' ARG . 18.5 mm-40 -134.4 -46.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 75.1 110.301 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.99 153.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 74.0 110.339 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -174.99 2.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 52.11 109.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.9 -43.84 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 74.25 110.304 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.402 ' OD2' ' OH ' ' A' ' 110' ' ' TYR . 19.9 p-10 -53.63 -47.7 70.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 72.31 109.26 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.8 23.94 7.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 52.32 111.023 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.767 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.07 132.33 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 73.31 111.023 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.79 138.75 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 71.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.402 ' OH ' ' OD2' ' A' ' 106' ' ' ASP . 86.4 m-85 -126.22 106.85 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 75.44 111.026 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.2 mtt -133.31 154.07 51.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 71.41 110.965 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.554 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -116.09 143.89 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 74.1 109.301 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -121.72 139.93 52.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -168.29 179.23 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 72.12 109.322 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.401 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 23.6 t -85.7 39.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 63.34 110.019 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -147.73 128.62 14.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 70.45 110.31 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 80' ' ' PHE . 9.7 tt0 -127.38 -2.81 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 74.01 110.306 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -129.61 1.72 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 62.51 110.416 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 120' ' ' GLY . 13.6 p90 -43.15 -36.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 75.13 110.972 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.428 1.08 . . . . 75.54 111.004 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 12.4 ttp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.513 0.196 . . . . 72.43 111.036 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 1.4 t -127.79 101.16 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 65.52 110.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -115.22 91.21 0.55 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 71.33 111.027 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.55 154.03 24.46 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 53.43 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -105.19 62.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 71.13 109.283 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . 0.408 ' OD2' ' CD1' ' A' ' 22' ' ' LEU . 1.6 m-20 -90.68 -31.16 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 73.32 109.244 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -119.65 113.04 20.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 74.41 109.284 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.767 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -82.13 -153.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 73.43 108.005 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -98.23 147.36 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 75.25 110.4 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.87 123.51 46.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 75.33 109.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 4.8 mt -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 73.23 109.35 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.46 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -111.38 123.11 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 63.13 109.984 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.414 ' HB2' ' CD ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -85.19 10.52 12.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 65.44 110.041 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.09 -29.65 13.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 73.3 109.313 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.6 -1.4 57.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.52 110.287 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.46 ' HA ' ' CD ' ' A' ' 69' ' ' ARG . 22.3 m -76.97 178.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 74.23 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 64.45 109.29 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.98 -0.378 . . . . 63.31 109.98 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtt -82.85 163.37 51.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 74.03 110.932 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 150.43 38.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 72.22 111.06 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 58.56 48.08 12.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 60.34 110.003 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.09 147.63 24.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 71.45 110.277 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -52.93 -179.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.07 . . . . 74.11 109.308 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 62.4 p -122.58 152.36 40.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 71.24 110.427 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.55 ' CE2' HG21 ' A' ' 50' ' ' THR . 2.3 t80 -46.27 -24.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 75.3 111.035 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' CG ' ' OG1' ' A' ' 6' ' ' THR . 6.3 ptpt -78.26 -40.78 36.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 74.23 109.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -89.42 -64.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 60.23 110.304 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.3 tpt180 -38.95 -79.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 73.14 110.334 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.44 136.83 25.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 72.24 110.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 1.4 m -67.03 126.94 30.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 61.51 110.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.524 ' CZ ' ' OD1' ' A' ' 106' ' ' ASP . 2.0 t80 -51.33 -39.59 57.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 71.11 110.957 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 8.2 mt-10 -65.59 -31.07 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 75.23 110.337 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.474 ' CG ' ' HB2' ' A' ' 12' ' ' SER . 6.0 mm100 -70.57 -47.29 60.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 75.04 110.279 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' NH2' ' HB3' ' A' ' 15' ' ' GLN . 5.9 mmp_? -61.58 -55.02 35.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 74.24 110.298 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 14' ' ' GLU . 7.1 p -56.46 -38.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.55 109.295 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 24.2 tt0 -55.15 -57.7 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 74.55 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' ARG . 9.8 t0 -49.92 -53.86 23.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 75.14 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 108' ' ' PHE . 8.5 t -39.77 -32.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 74.15 109.319 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 8.7 ttt85 -57.28 -53.12 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 73.35 110.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.9 mt -56.84 -51.09 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 71.15 109.292 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.506 ' HB ' ' CZ2' ' B' ' 338' ' ' TRP . 1.2 tp -62.26 -27.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 75.23 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.3 mmm180 -71.9 -33.42 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.04 110.261 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -100.61 -4.7 27.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 75.54 110.27 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 22' ' ' LEU . 26.3 mt-30 -106.6 -59.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 74.23 110.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.587 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 8.2 m-70 -117.02 80.75 11.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 74.54 109.657 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -75.0 -32.78 5.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.552 1.817 . . . . 74.04 111.07 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -89.64 30.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.21 110.439 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' A' ' 55' ' ' PRO . 24.2 mmtt -138.13 144.93 41.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 75.02 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.564 HG21 ' CD2' ' A' ' 99' ' ' TYR . 17.0 mm -96.64 114.55 64.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 70.42 109.341 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.93 131.99 15.01 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.451 1.764 . . . . 60.01 111.018 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.67 160.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 72.13 109.344 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.512 HG12 ' CE1' ' A' ' 108' ' ' PHE . 1.9 mm -134.9 95.9 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 73.34 109.274 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 67' ' ' ILE . 49.5 mt -95.89 129.17 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 71.31 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -131.83 165.7 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 73.35 110.323 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -73.62 136.07 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 73.24 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -57.53 139.95 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 72.52 111.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 13.4 ptmt -59.44 98.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 73.55 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.51 20.24 9.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 74.45 111.049 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.5 tm-20 -110.52 103.84 12.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 74.3 110.254 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 -22.43 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 72.3 109.299 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -44.29 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 65.43 110.348 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' A' ' 115' ' ' SER . 1.2 mp -58.98 154.67 37.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.32 109.332 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.89 30.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 74.43 110.99 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.6 t -83.29 122.77 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 73.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' HG ' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -40.98 146.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 72.3 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.427 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.3 m-20 -47.66 -44.78 27.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 70.44 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.1 OUTLIER -139.95 -172.15 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 64.03 109.392 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.55 HG21 ' CE2' ' A' ' 7' ' ' PHE . 3.3 m -113.98 -28.97 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 64.23 110.431 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.6 mtmp? -94.5 126.08 39.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 74.5 109.235 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 87.5 m-85 -135.87 126.96 27.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 72.04 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.587 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 14.0 mt -92.79 103.83 16.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 74.13 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.5 t -86.61 141.59 34.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 73.55 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 134.23 17.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.413 1.744 . . . . 72.21 110.954 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.7 p-10 -86.85 46.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 73.21 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.582 ' CE1' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -144.04 16.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 74.42 109.531 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.582 ' CG1' ' CE1' ' A' ' 57' ' ' HIS . 18.8 m -136.64 -162.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 73.11 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.82 174.66 5.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 71.01 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.503 ' SD ' ' C ' ' A' ' 60' ' ' MET . 2.5 ppp? -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 75.42 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -67.44 -42.44 83.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 60.52 109.959 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.04 -30.56 48.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.422 1.076 . . . . 65.32 110.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' B' ' 341' ' ' LEU . 0.4 OUTLIER -65.97 -29.63 70.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 75.35 109.322 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 6.3 mt -75.82 -41.9 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 73.44 109.258 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 65' ' ' LYS . 6.9 mmtt -61.96 -23.66 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 65.21 109.308 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.481 ' CG2' HD21 ' B' ' 341' ' ' LEU . 97.2 mt -89.32 -62.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 73.3 109.297 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.564 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 14.5 mm -39.78 -48.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 74.11 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 4.2 ptm85 -61.24 -44.16 97.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 75.11 110.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 14.8 mmm180 -57.88 -30.99 66.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.437 1.086 . . . . 73.23 110.276 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.41 ' NE ' HG21 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -73.43 -40.4 64.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 71.15 110.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 33.8 mt -69.26 -8.61 47.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 72.23 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 21.9 pt20 45.83 39.62 5.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 75.43 110.323 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' HG ' ' CB ' ' A' ' 71' ' ' LEU . 18.1 mt -71.85 172.92 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 75.2 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -108.43 167.65 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 74.2 109.383 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.32 -15.69 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 64.32 109.272 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -86.13 -23.54 26.57 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.532 1.145 . . . . 74.34 109.293 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -83.39 139.4 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 75.3 110.317 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.21 138.37 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 75.3 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -143.22 147.75 35.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 75.54 111.027 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 39.1 m-85 -143.46 119.98 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 74.22 110.956 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -86.75 109.66 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 75.43 109.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.531 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 0.8 OUTLIER -92.09 116.06 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.12 109.307 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.514 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.8 t -85.79 110.65 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 75.33 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.425 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 71.84 7.18 5.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 73.33 109.277 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.22 6.75 38.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 75.13 110.976 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.7 p80 -128.32 139.19 52.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 74.02 109.594 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.62 171.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 72.54 110.008 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.41 ' HG2' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -113.93 15.19 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 74.41 110.953 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.543 ' O ' ' CB ' ' A' ' 90' ' ' SER . 3.2 m -40.24 126.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.21 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 89.13 21.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 61.44 110.036 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.499 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.21 107.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 75.24 109.369 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.77 12.38 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 74.42 110.06 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 54.3 m -124.18 143.21 42.02 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.462 1.101 . . . . 72.01 110.394 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.03 143.9 29.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 74.22 110.987 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.426 ' CD1' HG13 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -54.65 -20.23 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.51 109.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.5 p -68.77 -36.59 78.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 73.11 109.996 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' SER . 5.9 mm-40 -91.67 -50.06 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 74.43 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.05 -38.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 74.24 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -77.42 -36.04 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 73.42 111.003 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -81.49 -4.17 55.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 74.24 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.91 5.93 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 63.15 110.102 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE2' ' ND2' ' A' ' 84' ' ' ASN . 21.4 mm-40 -133.59 -48.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 75.1 110.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.16 149.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 74.0 110.363 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 -175.11 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 52.11 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -49.71 -47.73 50.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 74.25 110.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.524 ' OD1' ' CZ ' ' A' ' 13' ' ' PHE . 3.1 p-10 -46.25 -50.48 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 72.31 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.21 45.48 1.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 52.32 110.987 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -145.28 131.38 19.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 73.31 110.987 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.47 138.25 38.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 71.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -124.6 108.97 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 75.44 110.97 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.405 ' SD ' ' CG2' ' A' ' 83' ' ' VAL . 5.6 mtt -130.27 139.17 50.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 71.41 111.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.0 t -110.55 133.76 54.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 74.1 109.302 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.53 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.8 p90 -113.19 152.93 29.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 1.149 . . . . 73.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.91 178.84 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 72.12 109.337 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.47 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 6.5 t -88.18 24.29 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 63.34 110.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.8 tp60 -149.91 142.23 24.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 70.45 110.365 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 4.6 tt0 -122.49 -2.21 8.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 74.01 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 74.3 p -136.85 66.92 1.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 62.51 110.446 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 120' ' ' GLY . 29.5 p90 -98.78 -37.82 9.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 75.13 110.974 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.408 ' N ' ' CD1' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 75.54 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.515 0.197 . . . . 72.43 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 83.7 p -128.44 103.17 6.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 65.52 110.033 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 76.27 -156.91 47.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 71.33 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.31 -46.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 53.43 111.008 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -97.24 71.61 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 71.13 109.245 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -62.91 -50.03 72.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 73.32 109.282 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.91 131.58 51.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.41 109.244 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.755 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 3.6 m0 -76.83 -152.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 73.43 108.022 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 2.1 m -89.49 168.74 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.25 110.406 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -125.04 121.68 35.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.33 109.569 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.587 ' CD1' ' CD2' ' A' ' 63' ' ' LEU . 6.8 mt -99.28 113.95 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 73.23 109.312 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.459 ' HB2' ' CG ' ' B' ' 345' ' ' GLU . 0.7 OUTLIER -111.45 123.96 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 63.13 109.976 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.476 ' O ' ' CG2' ' B' ' 346' ' ' VAL . 0.3 OUTLIER -78.13 0.59 24.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 65.44 109.936 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -21.16 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.3 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . 0.459 ' CG ' ' HB2' ' B' ' 342' ' ' SER . 5.0 mm-40 -87.43 -7.39 57.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 61.52 110.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' B' ' 343' ' ' SER . 29.9 m -79.89 -177.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 74.23 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 64.45 109.278 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.99 -0.374 . . . . 63.31 109.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 156.57 45.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 74.03 110.986 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 57.66 4.7 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.421 1.748 . . . . 72.22 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 p -159.19 136.0 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 60.34 109.97 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.96 126.58 52.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 71.45 110.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -57.45 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 74.11 109.336 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.2 p -109.21 154.32 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 71.24 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.527 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 57.1 m-85 -44.97 -22.72 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 75.3 111.041 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 13.1 ptmt -81.64 -39.74 23.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 74.23 109.272 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' THR . 37.9 mt-30 -92.08 -64.57 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 60.23 110.313 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' THR . 20.9 tpt85 -36.62 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.14 110.26 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -39.82 134.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 72.24 110.242 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -70.5 131.4 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 61.51 109.995 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 105' ' ' GLU . 1.8 t80 -46.46 -38.95 9.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 71.11 110.998 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.529 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 2.7 pt-20 -81.95 -21.5 37.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.23 110.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' SER . 17.0 mm100 -82.96 -19.98 36.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 75.04 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' NH2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -90.84 -38.18 13.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.24 110.294 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.529 ' CG1' ' HA ' ' A' ' 14' ' ' GLU . 6.8 p -76.01 -34.99 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 73.55 109.278 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.09 -47.05 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 74.55 110.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 75.14 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.611 ' CG2' ' CD2' ' A' ' 108' ' ' PHE . 26.5 t -55.79 -24.63 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 74.15 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -58.76 -44.19 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 73.35 110.34 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.4 mt -62.6 -54.84 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 71.15 109.376 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.512 HD11 ' CG ' ' B' ' 338' ' ' TRP . 1.1 tp -61.49 -26.67 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.23 109.341 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.2 mmm180 -72.54 -33.41 66.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 74.04 110.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.58 -4.93 27.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.54 110.368 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' LEU . 31.7 mt-30 -104.86 -58.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 74.23 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -117.19 80.83 12.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 74.54 109.592 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.93 -32.58 5.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 74.04 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.9 p -89.83 30.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 72.21 110.481 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -136.46 151.66 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 75.02 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 99' ' ' TYR . 17.0 mm -103.65 113.59 65.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 70.42 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -74.96 139.28 24.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 60.01 110.946 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 52' ' ' PHE . 3.5 m -142.45 161.81 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 72.13 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.523 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -135.91 95.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 73.34 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.9 mt -95.36 131.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 71.31 109.361 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.527 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 3.6 mp0 -132.62 173.78 10.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 73.35 110.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -80.43 137.48 36.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 73.24 110.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -61.65 137.16 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 72.52 110.959 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.8 mtmt -59.73 99.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.55 109.254 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.63 18.12 9.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 74.45 110.972 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -109.28 108.08 18.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 74.3 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.89 -36.0 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 72.3 109.25 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.428 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 35.4 mt-30 -38.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 65.43 110.405 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.9 mt -54.94 152.25 14.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.32 109.299 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' O ' ' OH ' ' A' ' 113' ' ' TYR . 18.3 Cg_endo -75.05 166.72 28.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.488 1.783 . . . . 74.43 110.987 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.01 121.93 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 73.0 109.235 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.19 149.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 72.3 109.34 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -58.93 -37.92 77.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 70.44 109.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -144.64 -177.86 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 64.03 109.322 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -113.39 -31.95 6.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 64.23 110.449 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.9 mtmp? -93.59 135.91 34.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.5 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 51' ' ' LYS . 11.1 m-85 -139.99 140.21 36.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 72.04 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' B' ' 339' ' ' THR . 19.3 mt -109.2 104.26 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 74.13 109.31 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.494 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.6 t -91.54 141.44 25.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 73.55 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 135.47 19.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 72.21 110.982 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.9 p-10 -85.86 48.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 73.21 109.362 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' CE1' ' CG1' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.97 21.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 74.42 109.598 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.414 ' CG1' ' CE1' ' A' ' 57' ' ' HIS . 33.5 m -137.26 -167.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 73.11 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.72 148.55 40.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 71.01 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.495 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.8 ppp? -42.83 -26.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 75.42 110.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.453 ' CB ' HG22 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.98 -47.61 77.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 60.52 110.033 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.441 ' CD ' ' CB ' ' B' ' 343' ' ' SER . 7.1 mt-10 -47.27 -52.15 16.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 65.32 110.35 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.436 HD12 ' CG1' ' A' ' 67' ' ' ILE . 3.2 tp -47.04 -32.59 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 75.35 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 8.2 mm -71.23 -41.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 73.44 109.251 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 25.1 mtpp -65.0 -35.77 82.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 65.21 109.262 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' B' ' 341' ' ' LEU . 13.7 mm -70.9 -57.71 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 73.3 109.264 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.639 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 20.5 mm -46.09 -68.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 74.11 109.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 12.1 ptm180 -44.17 -42.63 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 75.11 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' CZ ' ' O ' ' B' ' 345' ' ' GLU . 9.1 mmm180 -62.12 -36.26 81.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 73.23 110.318 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -67.5 -46.09 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 71.15 110.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.488 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 9.8 mt -64.4 -12.74 46.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 72.23 109.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.2 pt20 45.93 40.8 7.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 75.43 110.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' ' 71' ' ' LEU . 1.8 mt -80.19 -176.52 5.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 75.2 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -121.31 -178.55 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 74.2 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.17 62.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 64.32 109.4 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.32 -25.85 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 74.34 109.353 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -91.36 129.56 37.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.3 110.228 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.57 129.44 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 75.3 109.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.639 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -135.51 134.65 39.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 75.54 111.015 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 22.4 m-85 -143.33 116.0 8.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 74.22 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -84.93 119.01 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 75.43 109.267 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -93.45 120.33 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.12 109.306 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.607 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.9 t -87.27 108.2 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 75.33 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.448 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 72.66 10.29 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 73.33 109.315 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.91 3.11 45.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 75.13 111.043 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 5.7 p80 -124.59 129.97 51.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 0.742 . . . . 74.02 109.595 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.438 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 0.1 OUTLIER -57.8 172.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 72.54 109.972 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.96 40.93 3.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 74.41 110.971 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -39.26 -30.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 72.21 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.3 m -119.55 103.85 9.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 61.44 109.953 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.495 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -108.5 86.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 75.24 109.263 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -124.81 18.08 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 74.42 110.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 3.6 m -129.89 145.97 59.36 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 72.01 110.368 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.1 Cg_endo -74.96 143.52 29.31 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.467 1.772 . . . . 74.22 111.034 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -53.21 -21.07 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 74.51 109.27 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.7 p -71.26 -35.73 71.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 73.11 110.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.407 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 48.5 mm-40 -88.44 -51.82 5.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 74.43 110.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.0 t -47.01 -33.21 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 74.24 109.272 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 31' ' ' ILE . 2.3 t80 -79.46 -37.63 36.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 73.42 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.29 -3.5 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 74.24 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.9 3.39 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 63.15 110.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.526 ' OE1' ' CE1' ' A' ' 86' ' ' HIS . 3.8 mm-40 -134.16 -51.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 75.1 110.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 5.5 ppt_? -34.74 150.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 74.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -96.66 -174.87 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 52.11 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 6.7 mm-40 -54.49 -38.79 66.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 74.25 110.361 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.636 ' C ' ' OD1' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -57.38 -47.59 81.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 72.31 109.318 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.68 27.6 4.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 52.32 110.956 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.643 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -120.62 133.29 55.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 73.31 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.464 ' CD1' ' HE3' ' A' ' 111' ' ' MET . 3.3 mt -83.28 147.95 27.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 71.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -126.73 106.94 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 75.44 110.979 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' A' ' 109' ' ' LEU . 4.1 mtt -128.99 133.17 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 71.41 111.027 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 3.0 t -110.24 124.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 74.1 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.472 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 4.1 p90 -103.34 153.74 20.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 73.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.78 178.48 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 72.12 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.25 30.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 63.34 110.045 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 119' ' ' PHE . 3.9 pt20 -149.79 126.03 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 70.45 110.354 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 11.0 tt0 -110.05 -7.1 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 74.01 110.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.4 p -133.59 68.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 62.51 110.385 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.419 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 43.0 p90 -97.39 -31.43 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 75.13 111.059 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 75.54 110.986 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' MET . . . . . 0.405 ' O ' ' C ' ' B' ' 332' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.504 0.192 . . . . 72.43 110.988 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 331' ' ' MET . 17.7 p 39.13 50.52 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 65.52 109.975 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 58.72 60.95 7.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 71.33 110.978 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 52.41 -179.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.016 -0.834 . . . . 53.43 111.016 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -97.36 76.42 2.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.561 0.801 . . . . 71.13 109.296 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' B' ' 337' ' ' ASP . 84.1 m-20 -104.33 60.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 73.32 109.29 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' B' ' 336' ' ' ASP . 11.2 m-20 71.55 108.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 74.41 109.322 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.643 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 3.4 m0 -61.79 -152.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 73.43 107.971 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -100.26 146.67 26.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.25 110.391 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.51 123.49 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 75.33 109.602 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.559 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.9 OUTLIER -89.89 119.85 30.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 73.23 109.376 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.21 120.24 40.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 63.13 110.046 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' GLU . 3.8 t -90.1 21.68 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 65.44 109.987 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -105.43 -29.57 10.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 73.3 109.32 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . 0.412 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.3 mt-10 -93.55 -2.24 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.52 110.249 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 66' ' ' ILE . 22.3 m -77.06 -171.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.23 109.264 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 64.45 109.278 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.961 -0.385 . . . . 63.31 109.961 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 mmt -95.28 154.73 39.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 74.03 110.99 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.25 9.73 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.534 1.807 . . . . 72.22 110.96 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -98.84 108.43 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 60.34 109.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -58.34 135.45 57.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 71.45 110.367 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -50.85 -179.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 74.11 109.323 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 9' ' ' GLN . 3.3 p -124.1 149.64 45.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 71.24 110.373 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -42.17 -26.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 75.3 111.046 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 6' ' ' THR . 8.8 ptmt -72.78 -47.99 41.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 74.23 109.288 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' THR . 9.0 mm100 -85.84 -64.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 60.23 110.263 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 6' ' ' THR . 21.2 tpt180 -44.9 -72.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.45 1.094 . . . . 73.14 110.237 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.55 116.18 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 72.24 110.387 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -53.99 130.03 36.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 61.51 109.998 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.494 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 0.9 OUTLIER -46.46 -64.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 71.11 111.009 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 4.4 mt-10 -52.42 -20.11 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 75.23 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -84.25 -30.47 25.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 75.04 110.246 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -90.75 -19.02 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 74.24 110.342 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.2 m -81.56 -43.1 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 73.55 109.328 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.54 -22.79 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.55 110.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.19 -57.73 6.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 75.14 109.301 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -49.83 -44.16 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 74.15 109.306 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 40.8 ttt180 -38.43 -38.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 73.35 110.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.44 -59.43 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 71.15 109.246 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -54.08 -23.48 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.496 1.122 . . . . 75.23 109.236 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -71.3 -32.91 69.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.04 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -100.91 -5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.54 110.336 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -107.25 -60.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.23 110.345 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.498 ' CG ' HD13 ' A' ' 53' ' ' LEU . 56.6 m-70 -119.59 78.23 20.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 74.54 109.6 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.44 11.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.514 1.797 . . . . 74.04 111.043 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -89.17 21.09 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 72.21 110.409 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -132.7 156.9 46.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 75.02 109.302 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 99' ' ' TYR . 16.3 mm -107.33 121.8 43.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 70.42 109.283 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.93 141.92 27.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 60.01 111.022 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.68 162.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 72.13 109.257 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.531 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.4 mm -136.39 96.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 73.34 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 67' ' ' ILE . 11.4 mt -94.85 121.91 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 71.31 109.321 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 50' ' ' THR . 6.5 mm-40 -127.63 174.85 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 73.35 110.314 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -85.02 131.7 34.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 73.24 110.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 2.1 t80 -53.79 136.55 39.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 72.52 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -58.04 103.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 73.55 109.271 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.07 20.19 14.71 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.5 1.125 . . . . 74.45 111.007 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.6 tm-20 -112.52 109.88 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 74.3 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -21.94 11.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 72.3 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 65.43 110.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' NE2' ' A' ' 77' ' ' GLN . 13.6 mt -54.76 148.44 26.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 74.32 109.252 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.46 8.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 74.43 111.011 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.44 107.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.0 109.356 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.3 145.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 72.3 109.316 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.416 ' N ' HD12 ' A' ' 47' ' ' LEU . 55.2 m-20 -44.37 -38.07 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 70.44 109.265 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -161.53 -169.75 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 64.03 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 36' ' ' GLU . 3.2 m -115.2 -32.71 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 64.23 110.435 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.563 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 15.5 mtmm -92.46 129.91 38.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 74.5 109.34 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.559 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 45.6 m-85 -140.87 136.31 32.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 72.04 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.585 HD23 ' CE3' ' B' ' 338' ' ' TRP . 6.0 mt -100.14 103.09 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 74.13 109.269 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 1.8 p -93.82 143.75 27.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 73.55 109.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.02 127.05 10.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 72.21 111.008 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.05 53.23 2.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 73.21 109.306 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.7 p-80 -154.61 28.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 74.42 109.54 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.19 -163.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 73.11 109.299 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.63 148.49 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 71.01 109.314 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.496 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.2 ppp? -47.11 -23.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 75.42 111.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.476 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -53.52 57.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 60.52 109.978 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' LYS . 15.7 mm-40 -42.3 -51.75 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 65.32 110.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 67' ' ' ILE . 1.4 tt -44.34 -46.03 9.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 75.35 109.237 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.404 ' N ' HD11 ' A' ' 64' ' ' ILE . 6.1 mm -58.92 -40.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 73.44 109.256 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 16.9 mtpp -69.74 -23.95 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 65.21 109.297 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' B' ' 342' ' ' SER . 15.8 mm -82.77 -34.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 73.3 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 9.4 mm -72.0 -69.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.11 109.354 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 65' ' ' LYS . 5.6 ptm180 -45.43 -34.43 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 75.11 110.262 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 1.4 mpt_? -62.13 -39.68 93.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 73.23 110.272 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.9 mtt-85 -69.57 -51.25 37.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 71.15 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' CB ' ' HG ' ' A' ' 73' ' ' LEU . 26.5 mt -61.3 -19.76 62.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 72.23 109.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 39.74 43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 75.43 110.342 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 77' ' ' GLN . 2.4 mt -75.19 169.04 18.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 75.2 109.282 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -109.43 176.62 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 74.2 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.52 -40.36 71.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 64.32 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -56.0 -39.41 71.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 74.34 109.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.516 ' NE2' ' CD2' ' A' ' 44' ' ' LEU . 37.3 tp60 -92.46 125.5 37.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 75.3 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.44 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -103.27 136.08 43.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 75.3 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -129.29 134.77 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 75.54 111.032 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 117' ' ' GLU . 12.9 m-85 -143.48 117.46 9.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.471 1.107 . . . . 74.22 110.986 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.64 114.18 22.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 75.43 109.318 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.592 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -89.04 116.76 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 74.12 109.344 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.556 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 55.0 t -81.72 113.67 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 75.33 109.312 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 62.83 20.59 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 73.33 109.289 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.82 6.85 61.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 75.13 111.021 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 22.8 p80 -128.14 127.61 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 74.02 109.633 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.485 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 15.4 p -57.65 172.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 72.54 109.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -119.84 42.86 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 74.41 110.985 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.1 p -39.2 -30.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 72.21 109.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.7 t -118.85 105.09 11.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 61.44 110.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.496 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -109.91 87.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 75.24 109.286 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -126.84 19.81 7.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.42 110.065 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 21.5 m -130.11 144.82 54.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.01 110.394 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.06 138.16 22.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 74.22 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.47 -32.16 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 74.51 109.347 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.3 p -57.2 -43.02 82.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 73.11 109.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLU . 47.8 mt-10 -83.07 -54.66 4.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 74.43 110.274 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.402 HG13 ' CD ' ' A' ' 102' ' ' GLU . 5.2 t -41.6 -32.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 74.24 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 1.9 t80 -79.09 -46.5 17.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 73.42 110.989 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' GLU . 7.0 pt-20 -71.62 -4.73 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.24 110.313 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -111.35 -7.49 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 63.15 109.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.509 ' OE2' ' CG1' ' A' ' 83' ' ' VAL . 93.4 mt-10 -123.85 -58.35 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 75.1 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.78 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 74.0 110.336 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.07 -176.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 52.11 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ASP . 36.5 mm-40 -44.99 -50.44 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.25 110.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' GLU . 11.5 p-10 -39.33 -51.47 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.31 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.45 31.18 5.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 52.32 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -132.97 129.86 38.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 73.31 110.97 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ILE . 3.5 mt -78.44 139.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 71.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.468 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 87.0 m-85 -119.06 107.4 13.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 75.44 111.066 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.43 ' CE ' HD13 ' A' ' 109' ' ' LEU . 6.1 mtt -128.59 139.16 52.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 71.41 111.031 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.7 t -114.66 121.99 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 74.1 109.29 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 10.2 p90 -100.4 151.72 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' CA ' HD12 ' A' ' 44' ' ' LEU . . . -170.77 179.2 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 72.12 109.282 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.8 t -88.33 24.06 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 63.34 109.962 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.5 pt20 -144.48 124.78 13.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 70.45 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -107.03 -13.61 15.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.01 110.296 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.516 ' O ' ' C ' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -122.16 39.67 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 62.51 110.372 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.722 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -27.0 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 75.13 110.985 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.569 1.168 . . . . 75.54 111.022 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.549 0.214 . . . . 72.43 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 1.6 m -50.12 179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 65.52 109.977 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 121.5 -91.12 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 71.33 110.994 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.23 -153.92 14.66 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 53.43 110.983 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -96.22 53.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 71.13 109.35 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -49.39 61.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 73.32 109.208 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.11 109.9 17.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 74.41 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.784 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 29.7 m0 -54.14 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.036 -1.098 . . . . 73.43 108.036 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.513 ' CG2' ' N ' ' B' ' 340' ' ' HIS . 0.6 OUTLIER -157.81 -169.53 2.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 1.103 . . . . 75.25 110.339 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . 0.513 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.86 117.82 12.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 75.33 109.597 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.49 HD22 ' CG2' ' B' ' 339' ' ' THR . 7.4 mt -93.67 84.38 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.23 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.486 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -84.77 136.42 33.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 63.13 110.056 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.34 8.72 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 65.44 110.043 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -33.19 10.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 73.3 109.303 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.1 -11.79 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 61.52 110.279 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.441 ' HA ' ' CG ' ' A' ' 69' ' ' ARG . 32.2 m -61.18 -170.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 74.23 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 64.45 109.286 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.99 -0.374 . . . . 63.31 109.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.79 157.71 32.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 74.03 110.961 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -52.6 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.245 0 O-C-N 124.442 1.759 . . . . 72.22 111.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -105.52 127.0 52.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 60.34 110.064 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -87.9 124.81 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 71.45 110.34 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -66.04 -172.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 74.11 109.323 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -104.9 153.61 21.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 71.24 110.436 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 36' ' ' GLU . 9.6 m-85 -44.65 -24.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 75.3 110.966 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HG3' ' CG2' ' A' ' 6' ' ' THR . 0.0 OUTLIER -79.73 -39.02 32.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 74.23 109.295 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.0 mm100 -91.31 -65.51 1.01 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 60.23 110.273 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' THR . 26.2 tpt180 -39.87 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 73.14 110.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -51.41 132.81 29.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 72.24 110.329 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLN . 99.3 p -74.29 124.59 26.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 61.51 110.051 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.7 t80 -37.9 -56.26 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 71.11 111.014 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -47.01 -42.28 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.23 110.323 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' SER . 23.3 mm100 -69.1 -42.72 75.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 75.04 110.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' NH2' ' HB3' ' A' ' 7' ' ' PHE . 13.8 mtp180 -63.13 -27.01 69.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 74.24 110.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 106' ' ' ASP . 89.8 t -84.98 -39.37 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 73.55 109.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 74.55 110.303 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -55.15 -30.51 59.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 75.14 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 108' ' ' PHE . 9.8 t -76.89 -28.73 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 74.15 109.338 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.95 -37.39 84.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 73.35 110.31 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -75.16 -57.04 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 71.15 109.334 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.573 ' HB ' ' CZ2' ' B' ' 338' ' ' TRP . 1.2 tp -52.76 -27.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 75.23 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -72.33 -32.89 66.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 74.04 110.259 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.81 -4.51 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 75.54 110.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 34.0 mt-30 -112.06 -17.81 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.23 110.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.578 ' CD2' ' CD1' ' A' ' 53' ' ' LEU . 88.2 m-70 -160.6 68.37 2.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 74.54 109.535 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -26.38 10.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 74.04 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.1 p -86.52 12.15 11.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 72.21 110.503 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -126.03 164.37 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 75.02 109.343 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.572 HG23 ' CD2' ' A' ' 99' ' ' TYR . 34.2 mm -110.62 115.23 54.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 70.42 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -74.98 138.45 23.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 60.01 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.84 159.2 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 72.13 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.541 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.4 mm -132.91 95.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 73.34 109.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.466 ' CD1' HD12 ' A' ' 67' ' ' ILE . 8.0 mt -86.93 133.59 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 71.31 109.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 7' ' ' PHE . 11.8 mm-40 -134.21 158.73 42.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 73.35 110.345 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -69.21 137.47 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 73.24 110.36 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.9 t80 -63.45 148.68 47.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 72.52 111.038 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 9.6 ptpt -62.38 96.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 73.55 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.2 24.53 7.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 74.45 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -84.9 116.05 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 74.3 110.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.91 -39.65 3.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 72.3 109.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 45.4 mm-40 -52.18 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 65.43 110.314 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 HD21 ' NE2' ' A' ' 77' ' ' GLN . 12.3 mt -54.62 139.54 59.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.32 109.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.54 31.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 74.43 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' LEU . 46.9 t -71.26 114.54 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 73.0 109.31 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -39.88 145.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 72.3 109.33 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -43.89 84.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 70.44 109.359 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 177.23 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 64.03 109.372 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.9 m -113.53 -18.94 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 64.23 110.396 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 11.9 mtmm -105.94 133.33 50.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 74.5 109.298 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 51' ' ' LYS . 5.8 m-85 -140.04 138.05 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 72.04 111.002 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.578 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 20.0 mt -106.14 103.16 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 74.13 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 2.2 p -95.48 143.85 26.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 73.55 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.97 130.32 13.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 72.21 110.942 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -79.55 53.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 73.21 109.249 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' ND1' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -154.13 22.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 74.42 109.634 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.418 HG11 ' ND1' ' A' ' 57' ' ' HIS . 27.5 m -137.39 -168.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 73.11 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.23 161.35 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 71.01 109.299 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.485 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.7 ppp? -58.17 -29.78 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 75.42 111.081 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.457 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 1.3 t -66.3 -42.51 88.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 60.52 110.032 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' B' ' 343' ' ' SER . 4.3 mt-10 -53.14 -32.61 48.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 65.32 110.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.95 -29.86 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 75.35 109.319 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 79' ' ' PHE . 7.4 mt -74.36 -48.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 73.44 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 22.3 mtmt -50.59 -25.6 4.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 65.21 109.314 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.44 HG12 ' CG1' ' B' ' 346' ' ' VAL . 44.3 mt -90.11 -55.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 73.3 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.68 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 6.9 mm -42.11 -46.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 74.11 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' CD ' ' HA ' ' A' ' 65' ' ' LYS . 28.8 ptt180 -60.49 -43.02 97.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.11 110.39 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' ILE . 5.8 mmm180 -59.24 -25.76 64.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 73.23 110.258 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -43.72 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 71.15 110.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 93.5 mt -67.04 -10.98 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 72.23 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 13.1 pt20 45.84 46.24 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 75.43 110.328 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.444 ' HB3' ' CB ' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -85.3 -172.4 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 75.2 109.384 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -116.85 -174.94 2.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 74.2 109.357 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.08 71.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.097 . . . . 64.32 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -68.62 -39.74 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.34 109.309 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.553 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 1.7 tm0? -60.65 143.66 53.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 75.3 110.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.553 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -120.45 131.69 54.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 75.3 109.298 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.68 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 0.8 OUTLIER -131.53 119.82 22.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.566 1.167 . . . . 75.54 111.044 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -118.27 113.98 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 74.22 110.979 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -90.19 109.44 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 75.43 109.284 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 0.7 OUTLIER -87.97 114.46 24.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.12 109.328 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.6 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 2.5 t -83.33 109.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 75.33 109.212 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.3 m-20 71.24 6.1 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.33 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.67 3.36 30.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 75.13 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 22.7 p80 -123.43 129.89 51.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 74.02 109.583 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.459 ' CB ' ' CD ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -57.51 172.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 72.54 110.032 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.42 ' CB ' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -118.15 38.32 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 74.41 110.996 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.6 p -60.91 -13.91 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 72.21 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' SER . 77.8 p -117.13 28.91 8.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 61.44 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.4 OUTLIER -46.31 95.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 75.24 109.348 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.1 m -133.09 22.78 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.42 110.031 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.462 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 22.4 m -141.85 144.27 31.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 72.01 110.353 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.98 142.26 27.7 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.436 1.756 . . . . 74.22 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.08 -30.63 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.51 109.329 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.8 p -58.32 -45.23 88.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 73.11 109.988 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 20.0 mt-10 -81.62 -49.05 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.43 110.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 3.4 t -48.39 -25.83 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 74.24 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.58 ' CD2' HD22 ' A' ' 109' ' ' LEU . 8.6 t80 -80.18 -50.79 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.42 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -77.34 -3.61 40.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.24 110.287 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 m -110.59 3.62 19.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 63.15 110.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 6.6 mm-40 -137.38 -54.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 75.1 110.32 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.495 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 2.2 ppt_? -34.67 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 74.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.5 -175.14 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 52.11 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -46.69 -39.12 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 74.25 110.319 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -51.38 -50.44 59.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 72.31 109.284 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.03 17.33 20.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 52.32 111.035 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.764 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -119.02 135.14 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 73.31 110.99 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.58 HD22 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.55 140.31 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 71.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.14 108.71 11.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 75.44 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.71 136.42 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 71.41 111.02 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.556 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -107.43 130.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 74.1 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 1.7 p90 -105.13 160.96 14.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.08 168.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 72.12 109.356 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 t -89.2 21.65 3.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 63.34 110.083 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -145.79 119.15 8.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 70.45 110.278 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 7.3 tt0 -106.34 -7.17 17.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 74.01 110.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.2 p -132.42 56.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 62.51 110.413 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 120' ' ' GLY . 36.9 p90 -102.6 -24.58 13.77 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 75.13 110.975 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.488 1.117 . . . . 75.54 110.952 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.513 0.197 . . . . 72.43 111.019 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 60.7 m -112.8 -40.89 3.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 65.52 110.007 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 166.03 -34.87 0.24 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 71.33 111.048 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.93 -80.47 1.7 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.006 -0.837 . . . . 53.43 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -77.99 68.63 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 71.13 109.307 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . 0.43 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 35.1 t0 -61.56 -42.62 99.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 73.32 109.274 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . 0.435 ' OD1' ' NE2' ' A' ' 27' ' ' HIS . 7.9 t0 -168.03 148.43 4.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 74.41 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.764 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.1 m0 -87.28 -153.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.978 -1.119 . . . . 73.43 107.978 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -95.02 159.45 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 75.25 110.389 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.28 128.86 55.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 75.33 109.653 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.22 123.04 42.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 73.23 109.335 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.13 139.07 51.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 63.13 110.016 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.467 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -99.07 23.93 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 65.44 110.012 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -112.06 -32.0 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 73.3 109.326 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.3 -10.75 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 61.52 110.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.44 ' CG1' HG12 ' A' ' 66' ' ' ILE . 17.6 m -65.28 175.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 74.23 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 64.45 109.323 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.937 -0.394 . . . . 63.31 109.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 ptp -64.59 154.83 83.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 74.03 110.968 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -72.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 72.22 111.105 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -98.69 145.4 26.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 60.34 110.066 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -85.48 169.3 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 71.45 110.249 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -58.04 163.08 2.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 74.11 109.27 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.7 p -99.97 149.46 23.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 71.24 110.368 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.586 ' CE2' ' HG2' ' A' ' 36' ' ' GLU . 59.4 m-85 -41.07 -27.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 75.3 110.942 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 9' ' ' GLN . 16.6 pttt -80.5 -55.63 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 74.23 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 8' ' ' LYS . 7.8 mm100 -68.8 -62.59 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 60.23 110.343 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 6' ' ' THR . 21.3 tpt180 -38.19 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 73.14 110.329 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 122.4 15.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 72.24 110.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -46.59 114.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 61.51 109.912 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' SER . 2.2 t80 -36.84 -40.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 71.11 110.997 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -67.01 -60.55 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 75.23 110.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.36 -19.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.04 110.281 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.661 ' CZ ' ' CD2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -85.52 -47.74 9.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 74.24 110.338 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 106' ' ' ASP . 74.7 t -52.32 -38.47 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 73.55 109.306 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 30.0 tt0 -67.35 -45.93 74.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.55 110.247 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.56 -39.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 75.14 109.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -71.66 -46.7 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.399 1.062 . . . . 74.15 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 9.6 ttt85 -42.64 -27.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 73.35 110.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -70.63 -55.01 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 71.15 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.55 HD11 ' CD1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -64.67 -18.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 75.23 109.27 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -78.33 -32.87 49.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.04 110.33 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.01 -9.72 23.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 75.54 110.281 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 74.23 110.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.465 ' CG ' HD12 ' A' ' 53' ' ' LEU . 65.7 m-70 -126.76 73.02 75.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.54 109.572 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.65 12.69 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 74.04 111.016 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -84.96 10.95 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 72.21 110.394 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -125.31 159.54 31.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 75.02 109.325 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.578 HG21 ' CD2' ' A' ' 99' ' ' TYR . 18.4 mm -110.14 122.94 37.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 70.42 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.07 138.99 23.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 60.01 110.971 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.69 161.92 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.188 . . . . 72.13 109.211 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.1 mm -139.71 95.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 73.34 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.461 ' CD1' HD11 ' A' ' 67' ' ' ILE . 6.5 mt -88.11 132.8 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 71.31 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.586 ' HG2' ' CE2' ' A' ' 7' ' ' PHE . 2.7 mp0 -134.1 170.79 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.35 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.82 138.21 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 73.24 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.86 138.33 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 72.52 111.035 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 18.3 mtmm -57.28 95.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 73.55 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.76 20.31 7.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 74.45 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 9.2 tp10 -111.31 105.11 13.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 74.3 110.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -30.06 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 72.3 109.276 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -41.53 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 65.43 110.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 115' ' ' SER . 5.3 mt -54.84 150.47 18.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 74.32 109.244 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.402 ' O ' ' OH ' ' A' ' 113' ' ' TYR . 18.3 Cg_endo -74.98 167.55 26.81 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.428 1.751 . . . . 74.43 111.043 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.2 t -83.97 121.0 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 73.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.25 147.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 72.3 109.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.45 ' CG ' ' NZ ' ' A' ' 49' ' ' LYS . 31.6 t0 -50.19 -45.9 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 70.44 109.361 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.01 -174.13 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.607 1.192 . . . . 64.03 109.29 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.459 ' CG2' HG22 ' A' ' 34' ' ' ILE . 41.1 m -115.1 -32.96 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.619 1.199 . . . . 64.23 110.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 3.0 mtmm -91.83 132.41 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 74.5 109.286 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 46.3 m-85 -140.23 136.38 33.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 72.04 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.574 HD23 ' CE3' ' B' ' 338' ' ' TRP . 9.3 mt -103.17 102.99 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 74.13 109.306 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 1.9 p -94.21 143.79 26.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.55 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.86 126.04 9.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.472 1.775 . . . . 72.21 111.038 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -82.17 51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 73.21 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 7.2 p-80 -148.0 19.81 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 74.42 109.616 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.5 -161.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 73.11 109.262 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.57 149.91 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 71.01 109.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.469 ' SD ' ' C ' ' A' ' 60' ' ' MET . 1.1 ppp? -47.29 -26.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 75.42 110.999 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -55.53 -41.61 73.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 60.52 110.06 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' LEU . 9.2 mm-40 -56.16 -55.67 30.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 65.32 110.299 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 67' ' ' ILE . 1.9 tt -38.43 -41.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 75.35 109.336 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.43 HG22 ' CE2' ' A' ' 79' ' ' PHE . 14.7 mm -58.25 -59.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 73.44 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.51 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 44.0 mtpt -52.3 -21.65 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 65.21 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' B' ' 342' ' ' SER . 12.2 mm -82.49 -35.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 73.3 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.642 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.9 mm -68.76 -69.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.11 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.51 ' CD ' ' HA ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -40.62 -28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 75.11 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmt180 -67.06 -45.56 77.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.23 110.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' ILE . 12.9 mmm180 -60.33 -50.35 73.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 71.15 110.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 3.5 mt -62.0 -24.11 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 72.23 109.262 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.8 pt20 46.18 41.7 9.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 75.43 110.269 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.69 -166.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 75.2 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.38 -175.12 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 74.2 109.308 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.44 -15.18 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 64.32 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -83.58 -20.14 34.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 74.34 109.256 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -91.35 134.98 34.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.3 110.341 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.74 129.5 49.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 75.3 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.642 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -130.77 135.2 47.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.54 110.946 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.52 125.95 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 74.22 110.995 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -92.64 120.59 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 75.43 109.318 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.2 mm? -96.69 106.09 18.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.127 . . . . 74.12 109.395 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.596 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 9.4 t -73.75 107.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 75.33 109.26 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 68.92 8.88 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 73.33 109.25 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.32 6.22 36.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 75.13 111.01 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 20.7 p80 -126.01 139.15 53.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 74.02 109.645 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.429 ' N ' HD11 ' A' ' 82' ' ' LEU . 6.5 p -57.55 167.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 72.54 110.005 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -123.94 18.18 9.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 74.41 111.013 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.455 ' CG1' ' OE1' ' A' ' 117' ' ' GLU . 3.1 m -47.24 -25.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 72.21 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' VAL . 91.7 p -102.81 39.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 61.44 109.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 88' ' ' MET . 0.2 OUTLIER -39.3 -83.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 75.24 109.353 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.455 ' N ' HG21 ' A' ' 91' ' ' VAL . 2.0 t 38.41 29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.42 110.028 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' VAL . 53.6 m -152.33 139.91 12.97 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 72.01 110.444 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' GLU . 18.5 Cg_endo -74.96 137.01 21.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 74.22 111.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -44.53 -32.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 74.51 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.0 p -57.64 -44.96 85.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 73.11 110.041 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' PRO . 37.4 mt-10 -77.33 -50.69 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 74.43 110.266 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.19 -35.32 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 74.24 109.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.582 ' CD2' HD21 ' A' ' 109' ' ' LEU . 2.1 t80 -78.72 -38.81 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 73.42 111.011 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.24 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -118.44 5.5 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.15 110.024 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 103' ' ' ARG . 32.5 mm-40 -133.46 -52.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.1 110.326 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -34.59 146.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 74.0 110.303 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 -175.04 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 52.11 109.255 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -46.89 -43.87 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 74.25 110.221 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.491 ' HB2' ' NH2' ' A' ' 16' ' ' ARG . 17.9 p-10 -54.54 -47.06 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 72.31 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 99' ' ' TYR . . . 107.53 9.33 29.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 52.32 111.019 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.661 ' CD2' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -99.87 145.57 27.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 0.825 . . . . 73.31 111.02 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.582 HD21 ' CD2' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -95.42 134.1 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 71.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -114.16 112.32 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.44 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.1 mtt -133.33 131.18 39.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 71.41 111.006 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 6.3 t -103.32 128.94 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 74.1 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.402 ' OH ' ' O ' ' A' ' 45' ' ' PRO . 9.1 p90 -108.8 150.72 27.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 73.0 110.968 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -170.74 178.14 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.378 1.049 . . . . 72.12 109.326 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.526 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.9 t -90.92 32.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 63.34 110.02 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -149.58 132.52 16.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 70.45 110.312 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 4.6 tt0 -119.18 -6.64 10.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 74.01 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.8 p -136.27 18.5 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 62.51 110.406 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' A' ' 120' ' ' GLY . 7.6 p90 -37.66 -49.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 75.13 110.992 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.427 ' N ' ' CD2' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 75.54 111.095 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.547 0.213 . . . . 72.43 111.046 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 87.5 p -168.4 156.46 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.388 1.055 . . . . 65.52 110.027 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -54.86 -18.34 11.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 71.33 111.026 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.52 -131.33 4.45 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.958 -0.857 . . . . 53.43 110.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.63 59.59 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 71.13 109.299 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -101.0 -63.93 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 73.32 109.282 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.64 108.42 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 74.41 109.349 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.574 ' CE3' HD23 ' A' ' 53' ' ' LEU . 3.2 m0 -74.23 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 73.43 108.05 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.499 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -93.62 162.89 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 75.25 110.45 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -112.01 129.78 56.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 75.33 109.614 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 66' ' ' ILE . 7.9 mt -102.81 109.1 20.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 73.23 109.318 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -111.16 132.17 54.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 63.13 109.986 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' B' ' 343' ' ' SER . 2.2 t -92.87 15.58 14.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 65.44 110.019 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -101.44 -26.45 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 73.3 109.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.96 -1.36 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 61.52 110.264 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 17.8 m -71.01 -175.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 74.23 109.341 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 64.45 109.365 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.953 -0.388 . . . . 63.31 109.953 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.75 154.18 44.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 74.03 111.0 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -83.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.546 1.813 . . . . 72.22 111.0 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p -75.88 121.23 22.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 60.34 110.059 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -121.89 126.97 49.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 71.45 110.273 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -51.32 177.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 74.11 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 9' ' ' GLN . 16.9 p -113.5 157.52 21.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 71.24 110.455 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' CE1' ' CD ' ' A' ' 36' ' ' GLU . 21.9 m-85 -39.25 -41.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 75.3 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -56.56 -45.93 81.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 74.23 109.248 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 6' ' ' THR . 5.1 mt-30 -86.99 -66.57 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 60.23 110.324 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' THR . 47.3 tpt85 -38.84 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 73.14 110.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -41.15 131.03 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 72.24 110.346 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.479 ' CB ' ' HB2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -51.87 127.75 21.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 61.51 109.999 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' O ' ' CG1' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -46.83 -64.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 71.11 111.048 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 17' ' ' VAL . 89.8 mt-10 -52.18 -20.15 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 75.23 110.249 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 3.2 mm-40 -84.9 -30.34 24.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 75.04 110.269 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -90.68 -18.33 25.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 74.24 110.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 13' ' ' PHE . 2.3 m -82.26 -39.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.55 109.319 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -64.31 -24.4 67.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 74.55 110.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.46 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 38.0 t0 -64.27 -61.38 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 75.14 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -50.54 -44.88 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 74.15 109.276 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 42.1 ttt180 -43.36 -33.7 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 73.35 110.255 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 2.3 mt -64.69 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 71.15 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.57 HD12 ' CD1' ' B' ' 338' ' ' TRP . 1.2 mp -56.32 -22.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.578 1.173 . . . . 75.23 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -29.37 63.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 74.04 110.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -100.66 -18.66 16.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 75.54 110.184 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -98.3 -54.92 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 74.23 110.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' HD11 ' A' ' 53' ' ' LEU . 11.8 m-70 -117.37 79.94 12.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.54 109.61 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.5 7.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 74.04 110.992 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.404 ' C ' ' HG2' ' A' ' 30' ' ' LYS . 67.4 p -89.74 28.59 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.21 110.443 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HG2' ' C ' ' A' ' 29' ' ' THR . 11.5 mmtp -136.35 151.83 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 75.02 109.266 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 99' ' ' TYR . 46.2 mm -99.24 111.9 62.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 70.42 109.338 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.554 ' HD2' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.99 133.96 17.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 60.01 111.025 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.48 156.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 72.13 109.295 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.529 HG12 ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -132.6 99.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.34 109.352 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 mt -92.82 128.5 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 71.31 109.294 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' CD ' ' CE1' ' A' ' 7' ' ' PHE . 15.9 mm-40 -126.19 171.57 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.35 110.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -80.53 136.33 36.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 73.24 110.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.573 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 12.2 t80 -65.3 145.06 56.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 72.52 110.964 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 mtmp? -69.25 96.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.55 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.92 7.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.57 1.169 . . . . 74.45 110.994 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.9 tm-20 -109.33 106.51 16.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 74.3 110.303 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -35.77 4.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 72.3 109.309 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -39.05 -73.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 65.43 110.368 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 115' ' ' SER . 2.7 mt -60.08 149.48 74.39 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.52 1.137 . . . . 74.32 109.25 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.29 27.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 74.43 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.94 136.62 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 73.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.91 152.33 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 72.3 109.242 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 1.1 t0 -67.51 -37.39 82.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 70.44 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -127.43 -170.03 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 64.03 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.424 ' CG2' ' OE1' ' A' ' 36' ' ' GLU . 73.4 m -122.49 -38.79 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 64.23 110.345 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.567 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -106.34 150.12 26.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.5 109.22 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 10.8 m-85 -140.0 145.41 37.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.1 . . . . 72.04 110.948 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD11 ' CG ' ' A' ' 27' ' ' HIS . 31.0 mt -102.81 104.23 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 74.13 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.2 t -90.77 142.32 27.63 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 73.55 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.511 ' HD2' ' CG1' ' A' ' 54' ' ' VAL . 18.1 Cg_endo -74.97 127.11 10.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 72.21 110.99 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 12.5 p-10 -75.83 59.32 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.21 109.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.416 ' NE2' ' HB2' ' A' ' 55' ' ' PRO . 10.4 p80 -165.36 30.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 74.42 109.58 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 m -147.35 -162.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 73.11 109.311 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.09 164.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 71.01 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.502 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 3.1 ppp? -57.98 -29.12 64.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 75.42 111.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.471 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 60.52 110.047 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 46.9 mm-40 -43.09 -54.42 4.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 65.32 110.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.3 tp -39.94 -43.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.41 1.069 . . . . 75.35 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 3.6 mt -68.34 -46.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 73.44 109.322 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLU . 27.1 mtpp -51.76 -24.62 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 65.21 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD13 ' CG1' ' B' ' 346' ' ' VAL . 1.8 mm -89.51 -39.85 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 73.3 109.262 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.519 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.7 mm -58.89 -66.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.11 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' NH2' HG23 ' A' ' 64' ' ' ILE . 14.9 ptp180 -47.53 -28.22 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.11 110.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -36.35 67.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.23 110.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -71.5 -42.41 68.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 71.15 110.333 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 64.6 mt -73.35 -5.18 38.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 72.23 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 23.8 pt20 45.64 41.04 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 75.43 110.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 77' ' ' GLN . 28.1 mt -71.89 172.85 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 75.2 109.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -122.1 -176.07 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.2 109.294 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.53 -12.64 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 64.32 109.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' A' ' 76' ' ' ASN . 1.1 p-10 -86.74 -27.69 23.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.34 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' HG2' ' CD2' ' A' ' 73' ' ' LEU . 52.4 tp60 -87.63 142.32 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 75.3 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.3 146.87 34.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 75.3 109.312 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.576 ' CD1' ' C ' ' A' ' 79' ' ' PHE . 0.4 OUTLIER -156.88 145.01 19.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 75.54 110.996 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.485 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 63.9 m-85 -143.31 122.7 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 74.22 111.032 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -85.92 109.53 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 75.43 109.311 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.5 mm? -88.48 108.14 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.12 109.29 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.581 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 12.1 t -77.93 111.08 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 75.33 109.265 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 66.96 10.65 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.33 109.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.63 40.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 75.13 111.035 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.581 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 8.7 p80 -129.05 137.42 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 74.02 109.543 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.425 ' N ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -57.96 170.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 72.54 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.41 ' HB3' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -115.69 20.71 14.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 74.41 110.962 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 90' ' ' SER . 3.6 m -42.2 128.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 72.21 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' SER . 8.0 m 73.36 38.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 61.44 110.022 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.502 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.51 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.24 109.266 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.6 m -120.31 11.86 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.42 109.977 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.8 m -127.85 128.62 23.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.01 110.397 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' GLU . 18.2 Cg_endo -75.06 143.82 29.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 74.22 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -27.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.51 109.323 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.9 t -63.75 -44.87 92.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.11 109.973 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 30.0 mm-40 -82.52 -49.91 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.43 110.328 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.492 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 24.2 t -48.29 -25.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 74.24 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.579 ' CD1' HD21 ' A' ' 109' ' ' LEU . 46.9 t80 -79.6 -49.84 11.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 73.42 111.009 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -78.93 -3.31 44.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.07 . . . . 74.24 110.306 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.9 m -112.79 4.82 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 63.15 110.035 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 7.5 mm-40 -138.07 -52.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 75.1 110.365 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 7.4 ppt_? -34.77 151.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 74.0 110.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER -116.91 -174.51 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 52.11 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' ASP . 22.5 mt-10 -37.0 -56.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 74.25 110.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.45 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -44.92 -48.64 11.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 72.31 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 103.2 -0.32 47.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 52.32 111.035 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.777 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -96.84 135.38 38.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 0.8 . . . . 73.31 110.92 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.33 136.1 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.0 109.222 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 8' ' ' LYS . 76.1 m-85 -121.29 113.99 20.71 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 75.44 110.986 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 3.6 mtt -136.65 142.45 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 71.41 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.573 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 7.1 t -110.44 141.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 74.1 109.357 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.438 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 4.5 p90 -118.98 152.71 35.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -173.0 178.34 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 72.12 109.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.68 30.5 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 63.34 109.919 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 119' ' ' PHE . 3.0 pt20 -150.01 130.23 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 70.45 110.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.485 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 3.1 tt0 -111.94 -12.14 13.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 74.01 110.261 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.9 p -129.77 82.23 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 62.51 110.414 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.415 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 22.8 p90 -112.74 -29.86 7.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 75.13 111.027 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 75.54 110.966 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.478 0.18 . . . . 72.43 111.069 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 15.1 m -137.95 172.89 12.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 65.52 110.048 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.63 -55.89 0.6 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.133 . . . . 71.33 111.02 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.78 143.2 14.09 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.035 -0.826 . . . . 53.43 111.035 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' B' ' 337' ' ' ASP . 2.3 m-20 -74.97 -21.65 59.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 0.762 . . . . 71.13 109.281 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' B' ' 337' ' ' ASP . 25.5 t0 46.78 27.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 73.32 109.34 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' B' ' 336' ' ' ASP . 0.0 OUTLIER 156.74 128.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 74.41 109.245 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.777 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -94.92 -154.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 73.43 108.009 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 14.6 t -89.86 147.17 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 75.25 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.5 114.99 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.33 109.548 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . . . . . . . . . 6.4 mt -78.17 112.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 73.23 109.354 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 343' ' ' SER . 0.8 OUTLIER -70.48 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 63.13 109.994 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' B' ' 342' ' ' SER . 1.1 m 86.82 -9.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 65.44 109.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -28.04 15.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 73.3 109.325 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.53 -6.77 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 61.52 110.321 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' B' ' 343' ' ' SER . 22.8 m -64.94 175.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 74.23 109.25 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 64.45 109.304 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.013 -0.365 . . . . 63.31 110.013 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtp -53.48 152.96 8.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 74.03 111.018 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -79.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 72.22 110.97 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -100.25 -177.64 3.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 60.34 110.026 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -138.82 178.34 7.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.45 110.309 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -88.41 174.44 8.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 74.11 109.342 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.3 p -99.48 149.44 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 71.24 110.399 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.597 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 39.5 m-85 -35.49 -34.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 75.3 111.042 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.8 pttt -67.43 -54.5 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.23 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' THR . 38.5 mt-30 -72.28 -57.05 4.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 60.23 110.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.518 ' C ' ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -35.31 -71.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 73.14 110.229 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -77.08 135.46 38.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 72.24 110.267 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' GLN . 4.2 m -75.82 122.92 24.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 61.51 109.994 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.1 t80 -37.59 -63.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 71.11 111.015 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -38.87 1.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 75.23 110.328 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.2 tp-100 -74.99 -40.54 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.04 110.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' PHE . 26.5 mtp85 -64.85 -27.02 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 74.24 110.362 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.1 t -76.53 -32.88 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.55 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.63 -35.74 45.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.55 110.272 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 75.14 109.235 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -56.76 -40.89 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 74.15 109.305 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -40.23 -35.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 73.35 110.243 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -50.78 63.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 71.15 109.32 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.527 HD12 ' CD1' ' B' ' 338' ' ' TRP . 1.1 tp -65.6 -24.18 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 75.23 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -32.77 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.04 110.281 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.53 -19.56 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 75.54 110.235 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -90.94 -58.8 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 74.23 110.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -119.91 79.1 24.34 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 74.54 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.23 6.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 74.04 110.98 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.99 30.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.21 110.347 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -136.03 149.77 48.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 75.02 109.354 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 20.4 mm -98.34 112.76 62.99 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 70.42 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.0 Cg_endo -75.04 139.19 23.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 60.01 110.993 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.29 161.49 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 72.13 109.331 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.455 ' CG2' ' OE1' ' A' ' 36' ' ' GLU . 2.8 mm -129.79 101.81 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 73.34 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.56 ' HB ' ' CE1' ' A' ' 52' ' ' PHE . 2.5 mm -86.27 118.95 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 71.31 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.597 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 34.4 mt-10 -125.76 154.66 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.35 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -71.68 137.94 48.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 73.24 110.366 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.532 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 1.2 t80 -62.37 145.18 54.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 72.52 110.984 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -59.19 98.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.55 109.327 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.84 13.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 74.45 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -86.32 104.84 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 74.3 110.353 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -112.0 -28.85 7.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 72.3 109.278 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.41 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 71.1 mt-30 -62.21 -74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 65.43 110.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 115' ' ' SER . 2.5 mm? -54.56 150.96 15.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.32 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.96 179.52 5.99 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.527 1.803 . . . . 74.43 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.6 19.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.0 109.288 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.41 ' CD2' HD21 ' A' ' 71' ' ' LEU . 0.2 OUTLIER 59.03 155.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 72.3 109.256 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -7.83 55.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 70.44 109.234 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 159.87 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 64.03 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 7' ' ' PHE . 3.1 m -105.73 -26.67 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 64.23 110.359 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 11.0 mtmm -93.27 138.2 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.5 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 67' ' ' ILE . 14.2 m-85 -139.88 148.1 41.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 72.04 111.066 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 HD23 ' CG1' ' A' ' 23' ' ' ILE . 26.4 mt -119.04 104.38 10.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 74.13 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 2.3 t -91.98 141.99 25.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 73.55 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.53 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 18.1 Cg_endo -75.03 136.27 20.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 72.21 110.974 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.2 p-10 -83.98 49.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 73.21 109.352 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.8 p80 -155.85 27.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 74.42 109.592 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 m -143.0 -160.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 73.11 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -121.93 158.54 28.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 71.01 109.208 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.493 ' HG3' ' CG2' ' A' ' 91' ' ' VAL . 2.5 ppp? -54.45 -21.86 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 75.42 111.022 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.464 ' CB ' HG23 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -62.56 -29.92 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 60.52 110.038 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.27 -61.06 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 65.32 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' A' ' 67' ' ' ILE . 3.2 tp -44.17 -28.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.35 109.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 1.8 mm -73.65 -54.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 73.44 109.293 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 42.3 mttt -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 65.21 109.311 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' B' ' 341' ' ' LEU . 2.7 mm -77.8 -60.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.3 109.318 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.569 HD11 ' CE2' ' A' ' 52' ' ' PHE . 16.0 mm -43.4 -61.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.11 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.535 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 22.9 ptt180 -50.42 -40.49 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 75.11 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 3.9 mmt180 -66.58 -31.41 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.23 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -34.28 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 71.15 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.449 ' CD2' ' HG2' ' A' ' 45' ' ' PRO . 2.7 mt -81.8 -19.38 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 72.23 109.356 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' CG ' ' C ' ' A' ' 71' ' ' LEU . 7.9 pt20 40.21 44.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.43 110.271 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.49 176.72 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 75.2 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -112.0 166.78 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 74.2 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.02 -43.67 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 64.32 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -50.66 -36.14 34.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.34 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -89.13 138.19 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 75.3 110.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.59 138.86 45.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 75.3 109.265 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 2.1 t80 -130.97 127.63 38.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.54 111.068 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CE1' ' OE1' ' A' ' 117' ' ' GLU . 18.3 m-85 -134.13 116.29 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 74.22 110.963 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.515 ' HB3' ' CD1' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -90.49 123.26 34.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 75.43 109.239 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.51 116.12 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.12 109.275 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.582 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.5 t -84.78 109.56 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.33 109.308 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.57 10.41 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.33 109.345 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.85 4.79 45.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.147 . . . . 75.13 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.5 p80 -127.02 131.07 51.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 74.02 109.64 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.42 ' N ' HD12 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.53 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 72.54 109.991 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -113.62 41.64 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 74.41 111.01 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 88' ' ' MET . 3.1 m -38.38 -31.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 72.21 109.282 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.8 m -123.74 102.62 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 61.44 110.058 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.493 ' CG2' ' HG3' ' A' ' 60' ' ' MET . 0.1 OUTLIER -108.01 88.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 75.24 109.278 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -127.08 18.51 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.42 110.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 15.5 m -128.02 145.14 54.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.01 110.467 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.0 138.47 23.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 74.22 110.978 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -47.06 -25.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 74.51 109.336 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 79.1 p -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 73.11 110.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' PRO . 36.9 mt-10 -80.88 -54.6 5.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 74.43 110.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 7.4 t -43.37 -31.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 74.24 109.312 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 1.3 t80 -81.09 -45.42 16.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.42 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.32 -4.36 29.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 74.24 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -112.89 -6.99 13.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 63.15 109.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ARG . 14.2 mm-40 -124.79 -57.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.1 110.304 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -36.77 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.0 110.264 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 1.1 m-20 -102.58 -178.86 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 52.11 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.41 -42.55 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.25 110.308 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.427 ' OD1' ' CB ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -44.75 -45.96 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 72.31 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.67 13.65 29.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 52.32 111.024 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.787 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -115.35 130.93 57.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 73.31 110.972 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ILE . 2.5 mt -83.37 141.35 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 71.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.12 112.49 20.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 75.44 111.023 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 19.6 mtt -124.31 152.84 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 71.41 110.955 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.532 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.6 t -129.05 127.08 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.378 1.049 . . . . 74.1 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -115.67 154.65 29.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 73.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.03 179.75 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 72.12 109.295 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.477 ' CB ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -87.15 23.56 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 63.34 109.997 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -148.59 149.71 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 70.45 110.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 4.9 tt0 -123.86 -1.43 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 74.01 110.231 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.1 p -136.63 88.03 2.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 62.51 110.415 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 2.7 p90 -116.55 -31.88 5.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 75.13 110.974 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 75.54 111.018 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 2.9 ptp . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.593 0.235 . . . . 72.43 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 2.6 p -128.7 47.08 2.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 65.52 109.936 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -74.51 106.71 2.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.563 1.165 . . . . 71.33 111.004 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 68.52 148.91 0.21 Allowed Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.022 -0.831 . . . . 53.43 111.022 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.87 13.03 9.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 71.13 109.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -47.69 -29.42 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 73.32 109.264 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -132.81 112.57 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 74.41 109.329 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' TRP . . . . . 0.787 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 5.8 m0 -62.93 -153.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 73.43 108.043 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' THR . . . . . 0.474 ' CG2' ' CD2' ' B' ' 341' ' ' LEU . 0.6 OUTLIER -85.83 -171.14 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.25 110.377 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' HIS . . . . . 0.442 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -137.95 115.87 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 75.33 109.615 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' LEU . . . . . 0.576 ' N ' ' CD2' ' B' ' 341' ' ' LEU . 0.1 OUTLIER -89.58 97.14 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 73.23 109.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -97.85 121.37 39.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 63.13 110.014 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 2.6 p -78.01 -1.07 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 65.44 110.021 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -92.13 -27.22 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 73.3 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.64 -1.89 44.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 61.52 110.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' VAL . . . . . . . . . . . . . 3.6 m -81.5 178.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 74.23 109.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 20.3 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 64.45 109.36 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.467 0.175 . . . . 71.109999999999999 110.991 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -43.68 -43.41 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 72.439999999999998 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 15' ' ' GLN . 4.2 mp0 -69.57 -34.81 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 75.040000000000006 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' PHE . 16.1 tpp180 -77.03 -17.39 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.109999999999999 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.819 HG22 ' HA ' ' A' ' 106' ' ' ASP . 71.3 t -87.82 -42.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 72.239999999999995 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -61.47 -48.79 79.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.549999999999997 110.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.32 -36.51 6.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 51.310000000000002 109.319 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.612 HG23 ' CD2' ' A' ' 108' ' ' PHE . 2.4 t -69.95 -44.54 78.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 71.230000000000004 109.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -38.71 -48.31 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 73.349999999999994 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -54.71 -55.93 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 64.329999999999998 109.319 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.661 HD11 HD11 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -60.1 -25.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 73.030000000000001 109.357 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -76.75 -34.25 58.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 74.040000000000006 110.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -96.73 -4.93 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 75.540000000000006 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 33.1 mt-30 -113.71 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 74.230000000000004 110.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 8.5 m-70 -117.49 80.54 13.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 74.540000000000006 109.619 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -31.42 6.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 74.040000000000006 111.015 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 p -90.09 29.62 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.35 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -134.7 145.64 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 74.25 109.287 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 99' ' ' TYR . 14.2 mm -99.64 117.75 63.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 63.340000000000003 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.512 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -75.0 138.78 23.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 60.009999999999998 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.61 153.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 41.310000000000002 109.274 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 108' ' ' PHE . 25.1 mm -122.11 98.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 63.119999999999997 109.262 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.893 HD13 HD11 ' A' ' 67' ' ' ILE . 20.3 mt -96.37 125.88 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 64.400000000000006 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.58 ' OE1' HG23 ' A' ' 50' ' ' THR . 9.0 mm-40 -142.69 162.03 36.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.349999999999994 110.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.71 141.28 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 73.239999999999995 110.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.85 139.08 56.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 54.109999999999999 110.992 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 8.2 mtmp? -55.26 94.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 73.549999999999997 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.06 19.85 7.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 74.450000000000003 111.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.694 ' CD ' ' HB1' ' A' ' 114' ' ' ALA . 8.7 tp10 -84.81 115.13 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 0.731 . . . . 62.140000000000001 110.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -113.73 -12.54 12.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 64.400000000000006 109.283 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -74.13 -86.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 65.430000000000007 110.275 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 79' ' ' PHE . 19.4 mt -54.77 143.91 48.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 74.319999999999993 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.03 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.813 . . . . 72.019999999999996 111.008 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 46' ' ' VAL . 3.1 p -73.63 115.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 71.25 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.619 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.36 150.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 70.209999999999994 109.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.533 ' H ' HD13 ' A' ' 47' ' ' LEU . 38.0 t0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 65.120000000000005 109.328 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -132.81 165.7 23.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 64.030000000000001 109.275 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.58 HG23 ' OE1' ' A' ' 36' ' ' GLU . 2.3 m -102.68 -33.71 9.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 64.230000000000004 110.392 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HB3' ' CE3' ' B' ' 338' ' ' TRP . 22.2 mtmm -96.05 137.71 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 74.5 109.296 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HB3' HD21 ' B' ' 341' ' ' LEU . 29.4 m-85 -139.05 130.28 26.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 64.540000000000006 110.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.661 HD11 HD11 ' A' ' 23' ' ' ILE . 3.5 mt -95.42 104.17 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 70.040000000000006 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.678 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -91.48 141.63 26.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 54.109999999999999 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.543 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.99 135.38 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 72.209999999999994 111.021 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 5.5 p-10 -87.11 46.01 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.858 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.17 21.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.625 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.858 HG13 ' ND1' ' A' ' 57' ' ' HIS . 35.0 m -137.15 -167.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -115.22 150.75 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 54.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.635 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.8 ppp? -44.73 -28.08 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 72.030000000000001 111.017 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.631 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -55.54 -50.8 69.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 60.520000000000003 109.993 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 11.1 mm-40 -43.65 -57.4 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 65.319999999999993 110.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 35' ' ' ILE . 8.6 tp -40.38 -38.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 75.349999999999994 109.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 64' ' ' ILE . 5.8 mm -63.05 -64.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 62.299999999999997 109.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.67 -22.86 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 65.209999999999994 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.87 ' CG2' HD13 ' B' ' 341' ' ' LEU . 2.7 mm -78.45 -47.04 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 63.229999999999997 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.893 HD11 HD13 ' A' ' 35' ' ' ILE . 14.6 mm -55.87 -55.37 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 74.109999999999999 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.538 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 14.0 mtp180 -40.58 -49.45 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 75.109999999999999 110.34 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' NH1' ' H ' ' B' ' 347' ' ' ASP . 8.7 mmp_? -53.5 -43.34 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 110.32 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -64.21 -53.35 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 71.150000000000006 110.32 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 47' ' ' LEU . 60.1 mt -66.72 -16.74 64.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 72.230000000000004 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' ARG . 24.8 pt20 38.57 56.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 73.519999999999996 110.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 mt -88.99 169.08 11.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 60.030000000000001 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -89.84 173.12 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 74.200000000000003 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.06 -8.19 53.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 44.43 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -92.31 -34.63 14.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 74.340000000000003 109.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.05 146.99 54.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.299999999999997 110.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -111.49 126.5 55.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.299999999999997 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.72 ' CE1' HG21 ' A' ' 67' ' ' ILE . 1.4 t80 -134.16 135.37 43.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 75.540000000000006 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 21.6 m-85 -143.23 117.08 9.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 53.43 110.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.604 HD12 HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -85.71 116.39 23.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 70.099999999999994 109.277 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.635 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -91.32 120.0 31.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.120000000000005 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.711 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.7 t -86.51 111.9 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 75.329999999999998 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.425 ' ND2' ' OE1' ' A' ' 102' ' ' GLU . 1.5 m-20 69.2 11.32 8.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.244 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.17 5.6 49.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 61.149999999999999 110.996 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 22.4 p80 -126.35 130.09 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 74.019999999999996 109.6 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.59 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.73 172.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 72.540000000000006 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.51 41.33 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.310000000000002 110.985 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -39.41 -30.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 72.209999999999994 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 m -120.59 103.21 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 43.149999999999999 110.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.635 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -107.48 89.65 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.266 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.2 m -127.25 16.42 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 74.420000000000002 109.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 98' ' ' VAL . 3.0 m -127.68 146.43 58.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 72.010000000000005 110.39 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.721 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.02 143.22 28.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 74.200000000000003 110.976 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.678 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -52.25 -21.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.510000000000005 109.321 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.4 p -70.63 -41.05 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.109999999999999 110.024 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 10.9 mm-40 -82.1 -52.32 7.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 93' ' ' THR . 3.2 t -45.98 -30.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 73.030000000000001 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.576 ' HB2' HG21 ' A' ' 31' ' ' ILE . 3.6 t80 -75.26 -56.44 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -71.79 -4.6 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.8 m -104.37 -3.43 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 63.149999999999999 109.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 14.8 mm-40 -134.32 -59.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 75.099999999999994 110.263 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 3.2 ppt_? -38.33 157.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 73.510000000000005 110.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -105.73 177.6 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 52.109999999999999 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -45.95 -33.47 3.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 74.25 110.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.819 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -45.87 -45.67 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 72.310000000000002 109.291 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.43 27.49 10.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 33.439999999999998 110.97 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -137.85 128.16 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 73.310000000000002 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 99' ' ' TYR . 4.5 mt -78.86 152.84 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 67.6 m-85 -134.92 107.44 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.439999999999998 110.986 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.711 ' SD ' HG22 ' A' ' 83' ' ' VAL . 7.5 mtt -124.85 143.01 51.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 64.010000000000005 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.6 t -115.54 123.19 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 73.329999999999998 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.528 ' CE2' HD23 ' A' ' 47' ' ' LEU . 13.4 p90 -103.21 152.44 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 73.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.694 ' HB1' ' CD ' ' A' ' 41' ' ' GLU . . . -171.48 177.3 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 24.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.0 t -91.58 29.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 63.340000000000003 109.99 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -149.87 120.67 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 70.450000000000003 110.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.508 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 5.4 tt0 -105.99 -6.4 18.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 54.409999999999997 110.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 61.450000000000003 110.411 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 74.409999999999997 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.755 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 6.7 m0 -69.64 -151.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 73.140000000000001 108.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.475 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 3.6 m -91.32 157.37 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.25 110.395 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 121.51 43.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.549 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.87 HD13 ' CG2' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -96.16 84.0 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 73.230000000000004 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -93.54 130.57 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 62.219999999999999 110.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.488 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.1 OUTLIER -88.81 9.75 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 53.030000000000001 109.999 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.06 -23.24 16.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 71.409999999999997 109.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.32 -0.66 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 343' ' ' SER . 4.4 m -77.43 167.96 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 73.120000000000005 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 347' ' ' ASP . . . . . 0.425 ' H ' ' NH1' ' A' ' 69' ' ' ARG . 31.2 t70 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.450000000000003 109.322 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.792 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.1 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.539 0.209 . . . . 71.109999999999999 111.045 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -52.51 -19.62 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 110.229 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -75.79 -41.28 53.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 75.040000000000006 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -79.47 -49.47 12.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 73.109999999999999 110.378 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.013 HG12 ' CB ' ' A' ' 106' ' ' ASP . 3.2 m -44.0 -41.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 72.239999999999995 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.84 -44.44 93.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' CG ' ' NZ ' ' A' ' 51' ' ' LYS . 2.4 t0 -54.12 -33.34 57.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 51.310000000000002 109.233 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.532 HG23 ' CD2' ' A' ' 108' ' ' PHE . 2.6 t -69.37 -44.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 71.230000000000004 109.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' VAL . 39.3 ttt85 -38.62 -41.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.349999999999994 110.258 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -68.23 -61.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 64.329999999999998 109.341 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.778 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -46.95 -25.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.030000000000001 109.3 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 8.5 mmm180 -79.71 -39.19 31.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 74.040000000000006 110.303 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.9 pt-20 -89.37 -4.38 58.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 75.540000000000006 110.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LEU . 66.2 mt-30 -111.25 -56.87 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.230000000000004 110.339 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.682 ' CG ' HD13 ' A' ' 53' ' ' LEU . 23.2 m-70 -117.64 80.09 13.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 74.540000000000006 109.633 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.503 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.94 -31.28 6.44 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.551 1.817 . . . . 74.040000000000006 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 p -90.18 28.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 72.209999999999994 110.415 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -136.13 147.19 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.25 109.274 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.704 ' HB ' HG13 ' A' ' 54' ' ' VAL . 29.6 mm -100.0 117.11 63.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 63.340000000000003 109.295 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.94 138.41 23.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 60.009999999999998 110.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.42 156.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 41.310000000000002 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 108' ' ' PHE . 25.4 mm -128.58 95.49 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 63.119999999999997 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.716 ' CD1' HD11 ' A' ' 67' ' ' ILE . 24.6 mt -93.84 120.35 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 64.400000000000006 109.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 2.2 mm-40 -128.47 166.93 17.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 73.349999999999994 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 ptt85 -77.26 138.89 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 73.239999999999995 110.385 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.06 139.13 55.27 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.569 1.168 . . . . 54.109999999999999 111.004 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 22.6 mtmm -57.32 96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 73.549999999999997 109.244 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.91 17.65 8.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 74.450000000000003 111.03 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.5 tp10 -105.66 107.3 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 62.140000000000001 110.258 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -31.31 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 64.400000000000006 109.219 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.424 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.9 mm-40 -39.17 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 65.430000000000007 110.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.594 HD11 ' CA ' ' A' ' 115' ' ' SER . 2.8 mt -58.41 151.68 48.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.319999999999993 109.289 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 165.12 32.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 72.019999999999996 111.093 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' LEU . 2.6 p -73.71 114.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 71.25 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.483 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.26 141.89 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 70.209999999999994 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.483 ' H ' HD13 ' A' ' 47' ' ' LEU . 2.6 m-20 -40.55 -39.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.244 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -159.3 -171.14 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 64.030000000000001 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.405 HG22 ' HG2' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -114.5 -28.45 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 64.230000000000004 110.388 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 6.7 mtmt -90.61 130.13 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 74.5 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HA ' HG22 ' B' ' 339' ' ' THR . 59.3 m-85 -140.18 136.9 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 64.540000000000006 110.986 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 27' ' ' HIS . 8.9 mt -105.07 103.16 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 70.040000000000006 109.233 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.732 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.1 p -95.84 143.85 26.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.441 1.088 . . . . 54.109999999999999 109.3 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.98 130.42 13.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 72.209999999999994 110.974 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.34 52.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.209999999999994 109.266 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.803 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.57 21.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 74.420000000000002 109.622 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.803 HG13 ' ND1' ' A' ' 57' ' ' HIS . 34.1 m -138.28 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 63.399999999999999 109.344 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -110.98 162.18 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 54.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.563 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -58.89 -25.18 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 72.030000000000001 111.041 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.524 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -58.7 -50.56 73.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 60.520000000000003 110.052 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' LYS . 11.0 mm-40 -42.28 -52.48 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.319999999999993 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 35' ' ' ILE . 4.8 tp -47.4 -39.89 16.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' SER . 8.1 mm -59.46 -39.61 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 62.299999999999997 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 68.9 mttt -72.9 -37.98 67.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 65.209999999999994 109.225 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.923 HG21 ' HB3' ' B' ' 341' ' ' LEU . 15.5 mm -66.37 -30.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 63.229999999999997 109.299 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 35' ' ' ILE . 20.1 mm -77.1 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -44.71 -40.45 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 75.109999999999999 110.268 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.559 HH21 ' HB2' ' B' ' 347' ' ' ASP . 5.1 mmt180 -61.04 -37.42 82.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 73.230000000000004 110.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.0 mtt85 -69.02 -49.09 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 71.150000000000006 110.307 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.456 HD21 HD22 ' A' ' 47' ' ' LEU . 12.3 mt -61.57 -17.5 55.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 72.230000000000004 109.27 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 38.85 50.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.519999999999996 110.273 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.611 HD13 ' OE1' ' A' ' 77' ' ' GLN . 2.2 mt -79.52 -178.52 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 60.030000000000001 109.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.67 174.79 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 74.200000000000003 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.41 -24.24 62.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 44.43 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -77.58 -38.09 49.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.340000000000003 109.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.611 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 tm0? -64.97 143.48 57.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 110.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.577 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -112.61 139.79 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 75.299999999999997 109.337 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -142.29 137.05 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 111.025 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -143.16 134.93 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 53.43 110.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.31 114.24 26.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 70.099999999999994 109.306 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.2 mm? -92.49 109.69 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 74.120000000000005 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.895 HG22 ' SD ' ' A' ' 111' ' ' MET . 3.9 t -80.4 111.86 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.329999999999998 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.4 8.42 6.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 73.329999999999998 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 11.41 35.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.456 1.098 . . . . 61.149999999999999 110.926 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 15.3 p80 -132.35 142.97 49.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 74.019999999999996 109.675 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.15 166.58 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 72.540000000000006 109.976 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.8 11.67 18.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 73.310000000000002 111.029 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.7 p -39.96 135.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.8 OUTLIER 86.44 21.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 43.149999999999999 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.563 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -38.72 99.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.321 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.1 m -132.36 15.52 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.420000000000002 109.995 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 90.1 m -130.11 143.27 48.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 72.010000000000005 110.383 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.01 144.51 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 74.200000000000003 110.95 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.511 HG21 ' CG2' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -54.55 -20.84 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.338 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.2 p -67.0 -38.25 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 109.955 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 100' ' ' GLU . 40.5 mt-10 -89.39 -51.67 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 74.430000000000007 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.1 t -42.77 -36.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.714 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.75 -37.23 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 73.420000000000002 111.012 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 pt-20 -79.49 -4.02 49.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 74.239999999999995 110.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.45 5.81 13.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.149999999999999 110.045 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ARG . 10.2 mm-40 -135.49 -51.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 75.099999999999994 110.344 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.49 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.6 ppt_? -36.22 153.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 73.510000000000005 110.238 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -110.16 -179.41 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 52.109999999999999 109.277 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -38.71 -53.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.25 110.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 1.013 ' CB ' HG12 ' A' ' 17' ' ' VAL . 23.6 p-10 -44.65 -49.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 72.310000000000002 109.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 101.67 23.84 9.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 33.439999999999998 111.026 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.732 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.64 131.28 56.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 0.765 . . . . 73.310000000000002 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.29 141.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 71.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -126.42 107.58 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 75.439999999999998 110.984 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.895 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.7 mtt -131.39 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 64.010000000000005 111.038 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.7 t -103.82 134.49 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 73.329999999999998 109.358 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 2.7 p90 -112.9 143.92 43.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 73.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -156.71 178.36 10.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 24.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.594 ' CA ' HD11 ' A' ' 44' ' ' LEU . 30.2 t -88.77 18.28 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 63.340000000000003 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -150.09 150.38 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 70.450000000000003 110.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 2.7 tt0 -123.92 -1.82 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 54.409999999999997 110.221 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.450000000000003 110.417 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.314 -0.624 . . . . 74.409999999999997 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.778 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.6 m0 -78.74 -153.58 0.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.54 1.15 . . . . 73.140000000000001 107.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -94.19 160.57 14.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 75.25 110.36 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 340' ' ' HIS . . . . . 0.413 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.1 OUTLIER -112.33 130.87 55.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 75.310000000000002 109.558 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.923 ' HB3' HG21 ' A' ' 66' ' ' ILE . 6.0 mt -97.63 113.61 25.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.484 1.115 . . . . 73.230000000000004 109.302 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -105.25 130.95 53.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 62.219999999999999 110.054 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.578 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -84.05 3.92 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 53.030000000000001 110.006 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.425 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -94.63 -29.57 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 71.409999999999997 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.59 -0.68 43.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 61.520000000000003 110.345 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.599 HG12 HD13 ' A' ' 66' ' ' ILE . 4.8 m -75.62 -176.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 109.354 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 347' ' ' ASP . . . . . 0.559 ' HB2' HH21 ' A' ' 69' ' ' ARG . 35.2 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 64.450000000000003 109.284 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.4 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.516 0.198 . . . . 71.109999999999999 111.045 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.99 -39.91 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 72.439999999999998 110.274 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 75.040000000000006 110.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.494 ' CD ' ' OH ' ' A' ' 110' ' ' TYR . 18.2 ttm105 -74.57 -60.21 2.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 106' ' ' ASP . 97.7 t -45.09 -29.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 72.239999999999995 109.333 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -81.66 -40.01 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 74.549999999999997 110.243 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ARG . 13.5 t70 -60.83 -31.4 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 51.310000000000002 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.76 -37.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 71.230000000000004 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -42.84 -41.47 3.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 73.349999999999994 110.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.5 mt -64.48 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 64.329999999999998 109.29 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.67 HD11 HD11 ' A' ' 53' ' ' LEU . 1.1 tp -48.72 -24.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 73.030000000000001 109.236 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -81.23 -35.65 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.040000000000006 110.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.3 pt-20 -91.25 -5.13 55.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 75.540000000000006 110.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 32.3 mt-30 -114.84 -54.99 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 74.230000000000004 110.353 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.6 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 21.7 m-70 -117.76 80.39 13.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 74.540000000000006 109.635 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -31.45 6.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 74.040000000000006 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -90.0 29.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 72.209999999999994 110.416 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.07 148.21 49.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 74.25 109.29 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.731 HG23 ' CD2' ' A' ' 99' ' ' TYR . 16.4 mm -103.27 116.98 61.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 63.340000000000003 109.323 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.58 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.96 133.87 17.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.548 1.815 . . . . 60.009999999999998 111.031 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.437 HG12 ' HB2' ' A' ' 109' ' ' LEU . 4.3 m -139.54 155.09 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 41.310000000000002 109.243 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.657 HG23 HG22 ' A' ' 50' ' ' THR . 8.3 mm -123.43 98.76 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 63.119999999999997 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.871 HD12 HD11 ' A' ' 81' ' ' LEU . 4.3 mm -88.36 113.88 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 64.400000000000006 109.279 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' OE1' ' CG2' ' A' ' 34' ' ' ILE . 73.0 mt-10 -124.84 157.46 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 73.349999999999994 110.34 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.43 142.3 50.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.239999999999995 110.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -64.88 138.78 58.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 54.109999999999999 110.977 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 ptmm? -56.72 100.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.549999999999997 109.297 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.86 17.96 11.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 110.979 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 43' ' ' GLN . 7.4 tp10 -103.56 109.18 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 62.140000000000001 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 -37.14 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 64.400000000000006 109.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 51.3 mt-30 -38.88 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 65.430000000000007 110.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 73' ' ' LEU . 5.0 mt -57.87 150.71 47.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.518 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.93 167.48 26.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.469 1.773 . . . . 72.019999999999996 111.016 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -81.5 118.43 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 71.25 109.309 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.585 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -42.57 144.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 70.209999999999994 109.295 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.585 ' H ' HD13 ' A' ' 47' ' ' LEU . 11.0 t0 -46.1 -44.48 15.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 65.120000000000005 109.245 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.19 -174.58 4.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 64.030000000000001 109.249 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 35' ' ' ILE . 2.3 m -113.48 -25.78 8.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 64.230000000000004 110.429 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 7.9 mtmt -87.69 128.95 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.5 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.638 ' HA ' HG22 ' B' ' 339' ' ' THR . 96.6 m-85 -140.53 130.32 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 64.540000000000006 111.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.67 HD11 HD11 ' A' ' 23' ' ' ILE . 2.5 mt -96.46 104.4 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 70.040000000000006 109.355 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.2 p -102.21 143.58 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 54.109999999999999 109.338 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 136.01 19.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 72.209999999999994 110.99 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -87.54 46.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.764 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.2 22.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.617 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.764 HG13 ' ND1' ' A' ' 57' ' ' HIS . 35.6 m -134.62 -166.21 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 63.399999999999999 109.27 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.7 147.64 37.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 54.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.6 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.2 ppp? -46.17 -25.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.674 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -56.41 -54.83 41.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 60.520000000000003 110.019 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.26 -57.15 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 65.319999999999993 110.28 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.941 HD12 HD11 ' A' ' 95' ' ' ILE . 1.1 tt -40.68 -42.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 75.349999999999994 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.75 -54.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 62.299999999999997 109.338 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -57.32 -19.26 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 109.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.893 ' CG2' HD13 ' B' ' 341' ' ' LEU . 2.8 mm -85.06 -39.42 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 63.229999999999997 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.601 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.7 mm -67.55 -52.88 36.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.109999999999999 109.261 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.4 -21.99 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 75.109999999999999 110.216 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.439 HH21 ' HB2' ' B' ' 347' ' ' ASP . 4.6 mmt180 -77.2 -29.15 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.230000000000004 110.253 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.579 ' CB ' HD11 ' A' ' 47' ' ' LEU . 7.5 mmm180 -77.23 -39.85 47.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 71.150000000000006 110.313 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD22 ' HD2' ' A' ' 45' ' ' PRO . 9.0 mt -77.65 -6.59 54.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.177 . . . . 72.230000000000004 109.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 38.7 44.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.318 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.894 HD22 ' HG2' ' A' ' 77' ' ' GLN . 11.6 mt -83.62 174.66 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 60.030000000000001 109.373 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -131.17 -171.65 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 74.200000000000003 109.324 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.69 78.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 44.43 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -60.81 -38.76 86.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.298 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.894 ' HG2' HD22 ' A' ' 73' ' ' LEU . 50.1 tp60 -93.77 138.02 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 110.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.25 135.11 46.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 75.299999999999997 109.279 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.601 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -136.25 133.42 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 75.540000000000006 110.959 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.513 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.4 m-85 -143.42 115.6 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 53.43 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.871 HD11 HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -84.95 114.62 22.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 70.099999999999994 109.262 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -86.95 116.44 25.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.120000000000005 109.245 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 12.0 t -76.58 104.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 75.329999999999998 109.246 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.461 ' CB ' ' NE2' ' A' ' 86' ' ' HIS . 1.4 m-20 69.89 8.24 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 73.329999999999998 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.23 -2.38 26.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 61.149999999999999 111.048 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 3.3 p80 -119.17 127.02 52.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 0.813 . . . . 74.019999999999996 109.607 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.497 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.48 172.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 72.540000000000006 109.983 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -118.32 42.22 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.310000000000002 110.964 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -38.57 -31.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.209999999999994 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.5 m -121.43 103.44 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 43.149999999999999 109.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.674 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -107.31 88.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -126.84 17.55 7.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 74.420000000000002 110.077 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.599 HG23 ' HD2' ' A' ' 94' ' ' PRO . 19.2 m -127.53 144.88 52.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.010000000000005 110.358 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.04 138.66 23.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 74.200000000000003 110.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -47.23 -26.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.510000000000005 109.26 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 94' ' ' PRO . 95.9 p -61.49 -43.68 98.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 109.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -81.13 -55.85 4.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 74.430000000000007 110.324 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 93' ' ' THR . 3.9 t -41.69 -30.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.731 ' CD2' HG23 ' A' ' 31' ' ' ILE . 1.5 t80 -81.13 -47.36 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 73.420000000000002 110.956 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.34 -4.35 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 74.239999999999995 110.298 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -111.22 -11.24 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 63.149999999999999 110.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 109' ' ' LEU . 55.0 mm-40 -121.09 -57.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 75.099999999999994 110.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.1 ppt_? -37.55 152.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 73.510000000000005 110.27 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.31 -175.19 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 52.109999999999999 109.262 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 42.8 mt-10 -45.38 -46.6 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 74.25 110.308 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.763 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -39.96 -49.51 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.310000000000002 109.34 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 103.45 0.23 46.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 33.439999999999998 110.985 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.654 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -108.29 134.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 73.310000000000002 110.946 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.4 mt -79.0 148.6 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 71.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.494 ' OH ' ' CD ' ' A' ' 16' ' ' ARG . 96.8 m-85 -125.56 112.18 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.439999999999998 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.595 ' HB3' HD22 ' A' ' 81' ' ' LEU . 15.9 mtt -127.42 148.39 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 64.010000000000005 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.529 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.4 t -126.83 115.89 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 73.329999999999998 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.531 ' HD2' HG22 ' A' ' 35' ' ' ILE . 5.4 p90 -100.42 156.31 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 73.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.462 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -176.17 178.28 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 24.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.53 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.4 t -90.63 32.33 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.340000000000003 110.046 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -149.87 123.06 8.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 70.450000000000003 110.338 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.513 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 6.0 tt0 -111.58 -7.59 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 54.409999999999997 110.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 61.450000000000003 110.423 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 74.409999999999997 109.307 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.654 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 4.8 m0 -69.01 -154.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 73.140000000000001 108.032 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -95.81 159.3 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 75.25 110.402 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 132.09 45.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 75.310000000000002 109.58 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.893 HD13 ' CG2' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -100.14 85.72 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 109.252 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.0 120.1 32.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 62.219999999999999 109.985 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' B' ' 343' ' ' SER . 0.0 OUTLIER -86.67 13.75 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 53.030000000000001 109.983 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 -24.6 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 71.409999999999997 109.314 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -89.53 -0.47 57.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 61.520000000000003 110.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.405 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 3.0 m -82.85 167.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 73.120000000000005 109.33 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 347' ' ' ASP . . . . . 0.439 ' HB2' HH21 ' A' ' 69' ' ' ARG . 24.8 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 64.450000000000003 109.253 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.49 0.186 . . . . 71.109999999999999 110.983 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.74 -29.3 66.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 110.29 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -82.46 -29.09 30.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.329 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.582 HH21 ' HD1' ' A' ' 13' ' ' PHE . 38.9 ttp180 -83.43 -23.66 32.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 73.109999999999999 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.898 HG22 ' HA ' ' A' ' 106' ' ' ASP . 72.8 t -81.82 -34.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 72.239999999999995 109.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 15.7 pt-20 -75.66 -42.9 50.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 74.549999999999997 110.383 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -50.47 -46.17 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 51.310000000000002 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -61.96 -44.72 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 71.230000000000004 109.348 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.414 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 12.6 ttm180 -38.53 -46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 73.349999999999994 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.8 mt -61.1 -49.31 77.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.589 1.181 . . . . 64.329999999999998 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.798 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.2 tp -61.59 -22.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.141 . . . . 73.030000000000001 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -82.06 -37.11 26.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 74.040000000000006 110.381 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -88.16 -12.88 42.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.540000000000006 110.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 67.2 mt-30 -104.92 -51.21 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 74.230000000000004 110.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 10.5 m-70 -122.34 77.03 44.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.540000000000006 109.554 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.2 8.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.542 1.812 . . . . 74.040000000000006 110.998 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.4 p -90.54 25.67 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 72.209999999999994 110.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.47 149.8 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.25 109.227 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.663 HG23 ' CD2' ' A' ' 99' ' ' TYR . 16.0 mm -101.52 116.68 63.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 63.340000000000003 109.361 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.628 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 139.36 24.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 60.009999999999998 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 52' ' ' PHE . 1.5 m -143.82 159.44 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 41.310000000000002 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.486 HG13 ' CD1' ' A' ' 108' ' ' PHE . 2.8 mm -136.78 95.81 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 63.119999999999997 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.81 HD13 HD11 ' A' ' 67' ' ' ILE . 14.3 mt -89.01 127.78 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 64.400000000000006 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -129.65 152.87 48.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 73.349999999999994 110.301 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -64.86 136.16 56.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 73.239999999999995 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.501 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 11.7 t80 -59.89 148.85 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 54.109999999999999 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.7 ptpp? -69.6 93.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 73.549999999999997 109.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.67 21.22 6.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -109.45 111.14 22.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 62.140000000000001 110.258 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 -31.04 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 64.400000000000006 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -42.65 -81.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 65.430000000000007 110.36 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.599 HD12 ' C ' ' A' ' 114' ' ' ALA . 14.2 mt -55.91 143.03 62.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 74.319999999999993 109.26 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -75.01 167.01 27.99 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.532 1.806 . . . . 72.019999999999996 111.045 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.79 117.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 71.25 109.271 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.603 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.33 146.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.16 . . . . 70.209999999999994 109.248 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.603 ' H ' HD13 ' A' ' 47' ' ' LEU . 13.7 t0 -52.07 -45.91 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 65.120000000000005 109.245 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 175.68 9.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 64.030000000000001 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -108.47 -25.99 10.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 64.230000000000004 110.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 8.7 mtmm -97.79 132.16 43.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 74.5 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.638 ' HB3' HD11 ' B' ' 341' ' ' LEU . 29.8 m-85 -139.69 138.07 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 64.540000000000006 111.008 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 7.6 mt -103.99 104.21 14.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 70.040000000000006 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.755 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -88.29 141.61 30.95 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 54.109999999999999 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 132.69 15.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 72.209999999999994 110.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -86.71 46.0 1.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.906 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -148.8 19.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 74.420000000000002 109.555 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.906 HG13 ' ND1' ' A' ' 57' ' ' HIS . 33.0 m -137.09 -165.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 63.399999999999999 109.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -117.03 150.51 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 54.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.628 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -46.13 -24.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 72.030000000000001 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.677 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -58.05 -56.16 25.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 60.520000000000003 110.002 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' OE1' HG11 ' A' ' 58' ' ' VAL . 21.8 mt-10 -42.05 -50.07 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 65.319999999999993 110.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -44.21 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 75.349999999999994 109.247 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 64' ' ' ILE . 5.8 mm -57.8 -41.51 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 62.299999999999997 109.302 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' GLU . 60.6 mtpt -67.06 -35.64 80.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 65.209999999999994 109.31 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.932 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.6 mm -67.76 -38.88 81.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 63.229999999999997 109.346 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.81 HD11 HD13 ' A' ' 35' ' ' ILE . 19.8 mm -68.69 -69.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 74.109999999999999 109.27 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 110.345 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 67' ' ' ILE . 2.5 mmp_? -69.96 -49.72 48.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 73.230000000000004 110.24 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -58.36 -35.4 71.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.61 1.194 . . . . 71.150000000000006 110.327 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.642 HD22 ' HD2' ' A' ' 45' ' ' PRO . 6.1 mt -82.36 -16.73 48.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 72.230000000000004 109.368 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' LEU . 19.6 pt20 38.6 47.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.283 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.886 HD22 ' HG2' ' A' ' 77' ' ' GLN . 4.4 mt -80.05 -179.98 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 60.030000000000001 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -120.31 -175.17 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 74.200000000000003 109.268 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -36.06 82.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 44.43 109.276 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.41 -39.5 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 74.340000000000003 109.328 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.886 ' HG2' HD22 ' A' ' 73' ' ' LEU . 35.4 tp60 -87.08 119.08 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.13 140.95 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.299999999999997 109.306 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -141.21 134.5 29.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 75.540000000000006 111.071 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.502 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.8 m-85 -142.98 129.29 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 53.43 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -94.58 118.63 31.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 70.099999999999994 109.279 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.662 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -95.41 117.03 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.292 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.866 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.6 t -86.27 112.24 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.256 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.24 11.77 8.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 73.329999999999998 109.309 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.56 6.53 50.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 61.149999999999999 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 20.3 p80 -127.47 130.01 48.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 74.019999999999996 109.604 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.561 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.36 172.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 72.540000000000006 110.014 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.443 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -120.54 42.24 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.077 . . . . 73.310000000000002 111.067 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.564 HG12 ' OE1' ' A' ' 117' ' ' GLU . 3.2 m -39.8 -30.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.4 m -117.74 104.46 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 43.149999999999999 109.964 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.677 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -108.43 87.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.14 . . . . 73.430000000000007 109.314 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.0 t -124.31 18.39 9.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.577 HG23 ' HD2' ' A' ' 94' ' ' PRO . 21.9 m -131.01 144.59 54.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 72.010000000000005 110.378 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.02 142.74 28.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.517 1.799 . . . . 74.200000000000003 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.922 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -51.31 -22.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 p -68.2 -41.01 82.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 109.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 28.6 mm-40 -82.97 -53.57 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 110.242 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.551 HG23 HG22 ' A' ' 93' ' ' THR . 5.1 t -42.85 -34.96 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 73.030000000000001 109.331 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.687 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.45 -39.35 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 73.420000000000002 111.025 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.9 pt-20 -78.05 -4.17 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.239999999999995 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.46 5.36 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 63.149999999999999 110.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ARG . 6.4 mm-40 -136.56 -53.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 75.099999999999994 110.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -35.66 152.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 73.510000000000005 110.327 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -108.67 -175.04 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 52.109999999999999 109.297 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -49.99 -29.82 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.25 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.898 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 72.310000000000002 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.28 36.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 33.439999999999998 111.041 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.79 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.7 OUTLIER -111.82 129.25 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 0.757 . . . . 73.310000000000002 111.076 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.687 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.49 135.66 37.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.458 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.5 m-85 -117.25 107.7 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 111.035 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.866 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.6 mtt -132.96 135.0 45.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 64.010000000000005 111.008 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.9 t -106.67 135.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 5.9 p90 -111.4 153.67 25.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 73.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.599 ' C ' HD12 ' A' ' 44' ' ' LEU . . . -163.55 177.94 8.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 24.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.406 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.1 p -89.9 19.9 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.340000000000003 110.015 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -150.03 150.07 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 70.450000000000003 110.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 2.6 tt0 -123.97 -1.74 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 54.409999999999997 110.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 61.450000000000003 110.45 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.26 -0.644 . . . . 74.409999999999997 109.26 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.798 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.5 m0 -91.32 -152.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.140000000000001 107.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -96.32 160.03 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.25 110.373 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 125.37 53.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 75.310000000000002 109.581 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.932 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -92.14 92.73 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 73.230000000000004 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -86.02 130.85 34.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.114 . . . . 62.219999999999999 109.945 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.19 5.92 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 53.030000000000001 109.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -98.82 -23.18 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 71.409999999999997 109.299 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -87.11 -0.64 56.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 61.520000000000003 110.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.61 HG12 HD13 ' A' ' 66' ' ' ILE . 3.7 m -76.52 -179.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.339 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 64.450000000000003 109.244 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.646 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.2 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.49 0.186 . . . . 71.109999999999999 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 32.5 mt-10 -55.64 -35.55 66.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 72.439999999999998 110.311 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.95 -41.48 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 75.040000000000006 110.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.631 ' NH1' ' CE1' ' A' ' 110' ' ' TYR . 59.4 mtm180 -66.44 -60.41 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 73.109999999999999 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 106' ' ' ASP . 3.7 p -48.21 -57.1 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 72.239999999999995 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.549 ' H ' HG13 ' A' ' 17' ' ' VAL . 49.9 tt0 -41.11 -28.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 74.549999999999997 110.356 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' VAL . 3.7 t70 -74.53 -55.27 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 51.310000000000002 109.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.921 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.21 -42.69 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 71.230000000000004 109.291 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -45.09 -34.05 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 73.349999999999994 110.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.37 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 64.329999999999998 109.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.926 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -53.95 -24.55 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -32.34 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.040000000000006 110.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -13.16 18.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 75.540000000000006 110.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -97.77 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.230000000000004 110.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -118.22 79.72 14.98 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 109.588 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.52 12.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.477 1.777 . . . . 74.040000000000006 110.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -83.2 8.34 13.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 72.209999999999994 110.39 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -126.94 158.64 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.25 109.251 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 99' ' ' TYR . 10.1 mm -107.04 120.61 47.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 63.340000000000003 109.322 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.05 127.28 10.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 60.009999999999998 110.956 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -132.43 156.12 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 41.310000000000002 109.312 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.3 mm -129.71 97.13 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 63.119999999999997 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.3 mt -91.76 132.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 50' ' ' THR . 10.7 mm-40 -140.53 140.18 35.18 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.571 1.169 . . . . 73.349999999999994 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.96 140.9 35.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 110.237 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -60.88 140.66 57.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 54.109999999999999 110.986 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.8 ptmt -57.86 95.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 73.549999999999997 109.234 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.03 18.18 7.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 74.450000000000003 111.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -86.14 116.03 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.797 . . . . 62.140000000000001 110.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 1.4 pptp? -119.25 -40.35 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 64.400000000000006 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.41 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 34.8 mt-30 -45.32 -84.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 65.430000000000007 110.286 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 115' ' ' SER . 6.6 mt -55.37 151.03 20.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.34 31.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 72.019999999999996 111.036 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.1 t -77.99 119.38 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 71.25 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.736 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.81 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 70.209999999999994 109.234 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.581 ' H ' HD13 ' A' ' 47' ' ' LEU . 71.7 m-20 -71.85 -38.18 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 65.120000000000005 109.316 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' CE ' ' HB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -130.12 -177.16 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 64.030000000000001 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.512 HG23 ' HG2' ' A' ' 36' ' ' GLU . 29.1 m -112.97 -33.9 5.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.073 . . . . 64.230000000000004 110.425 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.593 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.3 OUTLIER -113.77 147.27 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 74.5 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 51' ' ' LYS . 3.3 m-85 -140.22 146.42 38.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 64.540000000000006 110.967 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.926 HD21 HG12 ' A' ' 23' ' ' ILE . 25.3 mt -100.93 103.14 14.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 70.040000000000006 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.719 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.5 p -92.52 142.53 25.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 54.109999999999999 109.288 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.96 123.7 8.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.52 1.8 . . . . 72.209999999999994 111.025 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -77.62 56.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 73.209999999999994 109.273 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.497 ' ND1' HG13 ' A' ' 58' ' ' VAL . 7.5 p80 -159.23 29.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.420000000000002 109.638 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG13 ' ND1' ' A' ' 57' ' ' HIS . 25.9 m -145.9 -164.82 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 63.399999999999999 109.341 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.46 154.73 26.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 54.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.612 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -52.75 -25.15 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 72.030000000000001 111.029 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.645 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -51.5 69.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 60.520000000000003 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' OE2' HG11 ' B' ' 346' ' ' VAL . 40.0 mm-40 -42.27 -57.36 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 65.319999999999993 110.363 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.618 HD12 HG12 ' A' ' 67' ' ' ILE . 3.5 tp -40.16 -47.56 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 75.349999999999994 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 64' ' ' ILE . 6.5 mm -51.13 -62.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 62.299999999999997 109.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 9.3 mtmm -52.97 -32.36 45.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 65.209999999999994 109.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.648 ' CG2' HD22 ' B' ' 341' ' ' LEU . 4.5 mt -73.24 -27.26 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 63.229999999999997 109.29 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.618 HG12 HD12 ' A' ' 63' ' ' LEU . 17.1 mm -80.69 -69.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.109999999999999 109.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.54 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -45.15 -25.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 75.109999999999999 110.372 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -73.11 -40.48 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 73.230000000000004 110.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.61 -45.32 75.8 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.459 1.099 . . . . 71.150000000000006 110.357 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.736 HD21 HD22 ' A' ' 47' ' ' LEU . 4.6 mt -68.8 -8.58 44.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 72.230000000000004 109.227 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.0 pt20 39.07 56.01 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 73.519999999999996 110.283 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.783 HD22 ' HG2' ' A' ' 77' ' ' GLN . 6.7 mt -88.43 -179.4 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 60.030000000000001 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -117.02 -174.99 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 74.200000000000003 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.61 58.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 44.43 109.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -81.34 -16.99 50.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.199 . . . . 74.340000000000003 109.329 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.783 ' HG2' HD22 ' A' ' 73' ' ' LEU . 5.7 tp-100 -98.86 117.39 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 75.299999999999997 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.32 130.0 34.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.299999999999997 109.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -134.06 135.5 43.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 75.540000000000006 111.013 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.529 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 20.0 m-85 -143.3 123.82 14.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 53.43 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -90.0 110.09 21.09 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.468 1.105 . . . . 70.099999999999994 109.309 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.531 HD13 ' CA ' ' A' ' 87' ' ' SER . 2.3 mm? -83.89 112.93 20.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.231 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 111' ' ' MET . 24.9 t -83.11 109.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.296 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.7 m-20 67.4 15.76 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.061 . . . . 73.329999999999998 109.354 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.67 7.25 55.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 61.149999999999999 111.023 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 22.9 p80 -128.03 127.7 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 74.019999999999996 109.566 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.531 ' CA ' HD13 ' A' ' 82' ' ' LEU . 1.7 p -57.71 172.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 72.540000000000006 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.456 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -120.92 42.17 3.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 73.310000000000002 111.022 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.738 HG12 ' OE2' ' A' ' 117' ' ' GLU . 3.2 m -39.5 -30.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 72.209999999999994 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 t -121.09 106.16 11.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 43.149999999999999 110.011 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.645 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -107.78 93.91 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 73.430000000000007 109.295 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.08 14.72 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 74.420000000000002 110.008 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.484 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 87.7 m -127.26 143.46 47.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 72.010000000000005 110.398 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.02 140.13 25.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 74.200000000000003 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.551 HD13 HG21 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -48.99 -29.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 74.510000000000005 109.379 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 t -59.96 -40.54 89.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 110.007 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLU . 81.1 mt-10 -84.27 -53.12 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 74.430000000000007 110.23 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 7.2 t -42.65 -34.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 73.030000000000001 109.339 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -78.47 -41.1 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 73.420000000000002 111.024 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.3 pt-20 -77.3 -4.18 43.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 110.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.39 5.33 14.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.149999999999999 110.0 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 4.2 mm-40 -134.61 -53.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 75.099999999999994 110.338 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -36.4 153.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 73.510000000000005 110.289 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -114.55 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 52.109999999999999 109.318 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 88.1 mt-10 -42.49 -53.58 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 74.25 110.26 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.911 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -40.3 -52.04 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 72.310000000000002 109.27 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.921 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 100.63 31.28 5.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 33.439999999999998 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -130.73 133.65 46.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 73.310000000000002 110.959 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.19 136.33 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.631 ' CE1' ' NH1' ' A' ' 16' ' ' ARG . 90.6 m-85 -122.78 107.61 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 110.928 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 83' ' ' VAL . 2.9 mtt -132.36 147.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 64.010000000000005 110.941 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.7 t -116.31 145.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 73.329999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.558 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.6 p90 -120.49 157.9 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.557 ' C ' HD12 ' A' ' 44' ' ' LEU . . . -177.8 177.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 24.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.605 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -92.65 29.82 1.68 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 63.340000000000003 110.029 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -149.74 131.13 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 70.450000000000003 110.37 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.738 ' OE2' HG12 ' A' ' 89' ' ' VAL . 3.4 tt0 -114.44 -9.9 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 54.409999999999997 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 61.450000000000003 110.427 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.247 -0.649 . . . . 74.409999999999997 109.247 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.871 ' CE2' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -61.81 -154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 73.140000000000001 107.977 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.427 ' HB ' ' CE ' ' A' ' 49' ' ' LYS . 3.2 t -95.1 145.34 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.25 110.349 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 123.74 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.310000000000002 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.648 HD22 ' CG2' ' A' ' 66' ' ' ILE . 9.7 mt -90.77 121.84 32.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 73.230000000000004 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.55 128.32 55.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 62.219999999999999 109.983 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.5 12.84 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 53.030000000000001 109.995 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -26.61 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 71.409999999999997 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.27 -0.51 41.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 61.520000000000003 110.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.484 HG12 HG12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -79.72 159.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 73.120000000000005 109.267 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 64.450000000000003 109.377 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.485 0.183 . . . . 71.109999999999999 111.045 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -44.98 -39.89 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 72.439999999999998 110.314 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.18 -58.24 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 75.040000000000006 110.286 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 20' ' ' VAL . 7.9 mmp_? -48.66 -38.04 20.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 106' ' ' ASP . 97.5 t -75.06 -38.37 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 72.239999999999995 109.343 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -58.34 -48.26 81.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.549999999999997 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD2' ' CD ' ' A' ' 51' ' ' LYS . 9.7 t70 -60.41 -40.03 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 51.310000000000002 109.328 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.529 HG23 ' CD2' ' A' ' 108' ' ' PHE . 14.2 t -56.75 -32.45 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 71.230000000000004 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -61.39 -50.16 74.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 73.349999999999994 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -55.33 -56.51 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.597 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -60.37 -30.34 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 73.030000000000001 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.7 mmm180 -69.1 -33.06 72.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.040000000000006 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.44 -4.94 27.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.540000000000006 110.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' LEU . 31.0 mt-30 -106.47 -62.32 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 74.230000000000004 110.32 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CG ' HD13 ' A' ' 53' ' ' LEU . 30.1 m80 -117.82 80.12 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 109.558 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.98 -29.05 8.67 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 74.040000000000006 110.993 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -89.85 26.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 72.209999999999994 110.415 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -133.05 147.37 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.25 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.513 HG23 ' CD1' ' A' ' 99' ' ' TYR . 38.9 mm -94.94 113.73 61.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 63.340000000000003 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.574 ' HD2' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 60.009999999999998 110.993 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.62 151.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 41.310000000000002 109.322 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.2 mm -124.01 95.57 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 63.119999999999997 109.284 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.503 HD12 ' CD2' ' A' ' 52' ' ' PHE . 9.0 mt -96.2 121.95 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 64.400000000000006 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.875 ' OE1' HG22 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -124.11 179.95 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.349999999999994 110.33 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -83.06 140.62 32.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 73.239999999999995 110.282 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.522 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 22.9 t80 -63.75 154.07 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 54.109999999999999 110.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 23.1 mtmm -75.87 95.02 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 73.549999999999997 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.51 21.02 6.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 74.450000000000003 110.979 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 5.3 tm-20 -116.76 103.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 62.140000000000001 110.33 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 -18.87 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 64.400000000000006 109.347 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -49.33 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 65.430000000000007 110.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.6 mt -54.67 151.96 13.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.366 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 165.54 31.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.536 1.809 . . . . 72.019999999999996 110.983 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.8 t -76.56 117.18 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 71.25 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.757 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.26 145.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 70.209999999999994 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.623 ' H ' HD13 ' A' ' 47' ' ' LEU . 6.0 t0 -49.61 -46.63 49.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 65.120000000000005 109.31 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -138.17 -173.74 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 64.030000000000001 109.299 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 m -115.8 -34.1 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 64.230000000000004 110.342 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 17.1 mtmm -93.94 127.09 39.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 74.5 109.337 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CD2' HD12 ' A' ' 35' ' ' ILE . 86.6 m-85 -132.38 134.02 44.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 64.540000000000006 110.966 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' A' ' 27' ' ' HIS . 17.9 mt -99.22 104.14 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 70.040000000000006 109.362 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -85.1 141.44 37.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 54.109999999999999 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.11 121.98 6.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 72.209999999999994 111.034 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -76.91 57.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 73.209999999999994 109.299 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' ND1' HG13 ' A' ' 58' ' ' VAL . 13.8 p80 -161.19 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 74.420000000000002 109.573 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.495 HG13 ' ND1' ' A' ' 57' ' ' HIS . 13.5 m -148.69 -160.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 63.399999999999999 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -118.7 159.69 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 54.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.655 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.5 ppp? -55.74 -23.23 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 110.961 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.641 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -59.16 -55.35 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 60.520000000000003 109.983 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 23.1 mt-10 -43.09 -52.4 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 65.319999999999993 110.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.808 HD12 HD11 ' A' ' 95' ' ' ILE . 0.8 OUTLIER -41.8 -44.31 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 75.349999999999994 109.356 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 64' ' ' ILE . 7.0 mm -54.7 -52.09 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 62.299999999999997 109.249 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -60.07 -33.58 72.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 65.209999999999994 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.821 HD13 ' CG1' ' B' ' 346' ' ' VAL . 2.8 mm -67.42 -38.09 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 63.229999999999997 109.373 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 63' ' ' LEU . 13.8 mm -70.37 -68.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 9.3 ptm180 -38.94 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 75.109999999999999 110.331 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmp_? -67.92 -51.24 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 110.265 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -62.31 -23.28 66.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 71.150000000000006 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD21 HD22 ' A' ' 47' ' ' LEU . 28.4 mt -92.37 -3.75 54.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 72.230000000000004 109.299 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.536 ' C ' ' O ' ' A' ' 71' ' ' LEU . 6.5 pm0 27.51 47.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 73.519999999999996 110.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.866 HD22 ' HG2' ' A' ' 77' ' ' GLN . 2.0 mt -79.58 -173.67 3.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 60.030000000000001 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -130.34 177.05 7.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 74.200000000000003 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.6 -19.56 65.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 44.43 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -76.88 -33.66 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 74.340000000000003 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.866 ' HG2' HD22 ' A' ' 73' ' ' LEU . 50.2 tp60 -93.69 112.58 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.299999999999997 110.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.74 137.12 36.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 75.299999999999997 109.259 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -138.14 134.74 34.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 75.540000000000006 110.992 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 20.3 m-85 -143.31 132.02 22.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 53.43 111.041 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.45 109.61 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 70.099999999999994 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 82' ' ' LEU . 2.7 mm? -84.84 104.98 15.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.655 HG21 ' CE ' ' A' ' 60' ' ' MET . 29.6 t -77.09 111.1 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.407 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER 65.55 10.88 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 73.329999999999998 109.301 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.51 11.19 36.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 61.149999999999999 111.071 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.9 p80 -130.39 135.96 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 74.019999999999996 109.572 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 171.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.540000000000006 109.988 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.488 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -131.73 31.97 4.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 73.310000000000002 110.995 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.33 -16.22 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 72.209999999999994 109.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' SER . 1.5 m -104.99 22.62 14.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 43.149999999999999 109.928 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -39.98 97.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 109.342 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.7 m -131.6 11.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.972 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.576 HG23 ' HD2' ' A' ' 94' ' ' PRO . 30.2 m -129.35 144.51 53.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 72.010000000000005 110.456 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 139.07 24.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 74.200000000000003 111.022 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.808 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -46.66 -28.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 74.510000000000005 109.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.4 p -62.37 -43.67 98.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 73.109999999999999 110.0 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 35.8 mt-10 -79.58 -55.34 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.561 HG23 HG22 ' A' ' 93' ' ' THR . 22.4 t -43.0 -29.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.030000000000001 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HA ' HD21 ' A' ' 109' ' ' LEU . 37.6 t80 -72.84 -48.75 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 73.420000000000002 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 3.0 pt-20 -81.28 -3.67 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 74.239999999999995 110.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -110.97 1.83 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 63.149999999999999 109.96 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 66.0 mm-40 -132.94 -49.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 75.099999999999994 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.91 156.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 73.510000000000005 110.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.34 -175.2 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 52.109999999999999 109.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -48.32 -27.56 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 74.25 110.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.717 ' HA ' HG22 ' A' ' 17' ' ' VAL . 1.5 p30 -67.09 -45.87 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 72.310000000000002 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . 101.04 6.8 51.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 33.439999999999998 111.013 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.776 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -107.62 133.05 52.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.806 . . . . 73.310000000000002 111.026 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.59 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.17 144.97 35.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 71.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.1 m-85 -131.21 122.43 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 110.993 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.461 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.7 mtt -145.05 145.73 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 64.010000000000005 111.019 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.875 HG22 ' OE1' ' A' ' 36' ' ' GLU . 7.1 t -113.38 141.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.266 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.4 p90 -119.5 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.456 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.51 178.58 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 24.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.488 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.6 t -89.94 23.64 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 63.340000000000003 110.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.9 tp60 -150.02 142.66 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 70.450000000000003 110.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 3.8 tt0 -122.0 -3.19 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 54.409999999999997 110.32 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 67.4 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 61.450000000000003 110.363 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.309 -0.626 . . . . 74.409999999999997 109.309 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.776 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 2.3 m0 -88.15 -152.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.546 1.154 . . . . 73.140000000000001 107.978 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 4.9 m -89.8 156.52 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 75.25 110.442 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 112.04 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 75.310000000000002 109.633 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.564 HD13 ' CG2' ' A' ' 66' ' ' ILE . 3.7 mt -92.53 109.56 20.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 73.230000000000004 109.246 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 9.2 m -117.42 146.43 43.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 62.219999999999999 109.976 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.5 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -89.03 6.26 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 53.030000000000001 110.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.417 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -102.49 -20.46 14.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 71.409999999999997 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -94.84 -0.56 53.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 61.520000000000003 110.269 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.821 ' CG1' HD13 ' A' ' 66' ' ' ILE . 9.8 m -76.88 -172.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 73.120000000000005 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 347' ' ' ASP . . . . . 0.411 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 5.6 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 64.450000000000003 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.5 t80 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.452 0.168 . . . . 71.109999999999999 110.996 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -19.26 63.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 72.439999999999998 110.251 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -90.32 -40.64 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 75.040000000000006 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.646 ' NH2' ' CE1' ' A' ' 110' ' ' TYR . 28.3 mmm-85 -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 73.109999999999999 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.889 HG22 ' HA ' ' A' ' 106' ' ' ASP . 49.3 t -73.91 -48.1 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 72.239999999999995 109.357 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 39.4 tt0 -62.84 -51.64 66.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 74.549999999999997 110.251 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -44.54 -36.44 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 51.310000000000002 109.287 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.674 HG23 ' CE2' ' A' ' 108' ' ' PHE . 2.7 t -69.87 -44.3 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 71.230000000000004 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 41.8 ttt180 -38.88 -42.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 73.349999999999994 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -58.69 -67.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 64.329999999999998 109.208 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.722 HD11 HD11 ' A' ' 53' ' ' LEU . 1.1 tp -50.49 -24.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 73.030000000000001 109.315 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -34.93 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 74.040000000000006 110.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.8 -4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 110.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' LEU . 50.9 mt-30 -110.63 -57.22 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 74.230000000000004 110.337 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 9.8 m-70 -117.13 80.98 12.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.622 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.88 5.92 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.477 1.777 . . . . 74.040000000000006 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 p -90.27 28.86 1.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 72.209999999999994 110.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 31.3 mmtt -135.11 144.76 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 74.25 109.226 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 10.4 mm -100.83 116.15 64.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.545 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 17.9 Cg_endo -75.05 139.48 24.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 60.009999999999998 110.938 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.86 160.73 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 41.310000000000002 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.552 HG12 ' CD1' ' A' ' 108' ' ' PHE . 6.5 mm -134.9 96.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 63.119999999999997 109.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.807 HD13 HD11 ' A' ' 67' ' ' ILE . 6.7 mt -95.42 131.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 64.400000000000006 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 3.9 mp0 -132.48 167.63 19.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 110.263 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 -75.62 133.47 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.239999999999995 110.251 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.89 140.88 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 54.109999999999999 111.023 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.588 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.1 ptmt -56.62 97.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 73.549999999999997 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.37 15.63 9.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 74.450000000000003 111.028 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -93.72 108.96 20.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 62.140000000000001 110.292 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.97 -39.75 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 64.400000000000006 109.319 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.406 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 30.6 mm-40 -44.71 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 65.430000000000007 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -54.97 148.2 29.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 168.43 24.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 72.019999999999996 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 t -83.59 121.8 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 71.25 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.648 HD22 ' CG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -45.65 150.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 70.209999999999994 109.296 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.422 ' H ' HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -57.11 -33.92 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 65.120000000000005 109.251 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 -176.07 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 64.030000000000001 109.328 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 35' ' ' ILE . 2.8 m -111.34 -40.24 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 64.230000000000004 110.381 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.517 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 12.0 mtmm -71.81 127.01 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 74.5 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CD2' HD12 ' A' ' 35' ' ' ILE . 68.8 m-85 -138.96 128.36 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 64.540000000000006 111.02 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.722 HD11 HD11 ' A' ' 23' ' ' ILE . 1.7 mt -94.85 104.19 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.539 1.149 . . . . 70.040000000000006 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.857 HG11 HD13 ' A' ' 95' ' ' ILE . 2.4 t -93.22 141.64 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 54.109999999999999 109.328 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.566 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.96 137.62 22.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 72.209999999999994 111.014 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.6 p-10 -88.79 43.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 73.209999999999994 109.234 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.936 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.99 17.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.394 1.059 . . . . 74.420000000000002 109.554 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.936 HG13 ' ND1' ' A' ' 57' ' ' HIS . 19.8 m -136.34 -163.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 63.399999999999999 109.288 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.56 166.11 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 54.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.0 ppp? -58.63 -31.18 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 72.030000000000001 111.033 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.884 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.1 t -54.25 -50.69 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 60.520000000000003 109.971 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.5 mm-40 -42.01 -53.87 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 65.319999999999993 110.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.766 HD12 HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -39.41 -52.79 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 75.349999999999994 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 61' ' ' SER . 3.2 mt -57.96 -56.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 62.299999999999997 109.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 39.7 mtpt -45.35 -26.44 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 65.209999999999994 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.987 HG21 HD13 ' B' ' 341' ' ' LEU . 2.8 mm -84.34 -49.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 63.229999999999997 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 35' ' ' ILE . 19.8 mm -45.9 -68.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 74.109999999999999 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -45.55 -45.71 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 75.109999999999999 110.267 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.591 HH21 ' HB3' ' B' ' 347' ' ' ASP . 3.9 mpt_? -55.45 -35.17 65.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 73.230000000000004 110.313 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -48.49 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 71.150000000000006 110.222 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.648 ' CG ' HD22 ' A' ' 47' ' ' LEU . 81.8 mt -69.33 -8.61 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.230000000000004 109.267 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.2 pt20 45.74 49.73 11.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 110.307 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.53 167.86 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 60.030000000000001 109.344 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -78.2 175.03 10.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 74.200000000000003 109.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.06 -1.17 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 44.43 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -111.7 -32.57 6.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 74.340000000000003 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.67 145.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.299999999999997 110.271 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.03 133.88 55.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 75.299999999999997 109.266 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.761 ' CZ ' HG21 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -150.71 145.02 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.540000000000006 110.973 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 77.0 m-85 -143.85 123.05 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 53.43 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 111' ' ' MET . 0.2 OUTLIER -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 70.099999999999994 109.297 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -91.66 117.07 29.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.120000000000005 109.309 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.878 HG22 ' SD ' ' A' ' 111' ' ' MET . 3.7 t -84.67 105.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 75.329999999999998 109.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.76 15.31 3.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 73.329999999999998 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.17 1.79 58.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.571 1.17 . . . . 61.149999999999999 110.964 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.507 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.2 p80 -122.61 137.11 55.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.778 . . . . 74.019999999999996 109.654 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -57.39 172.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 72.540000000000006 109.992 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.409 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -113.36 29.28 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 111.008 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.515 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.4 p -50.79 128.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 72.209999999999994 109.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 2.0 m 86.36 18.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 43.149999999999999 109.994 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -37.95 102.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.430000000000007 109.267 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -138.26 22.2 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 74.420000000000002 110.018 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 94' ' ' PRO . 8.4 m -128.8 145.32 55.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 72.010000000000005 110.408 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.0 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 74.200000000000003 111.03 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.857 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.62 -22.77 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.313 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.476 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 15.6 p -67.39 -39.44 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 73.109999999999999 109.934 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' SER . 44.8 mt-10 -85.64 -53.4 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 74.430000000000007 110.233 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.642 HG23 HG22 ' A' ' 93' ' ' THR . 3.2 t -42.86 -32.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 73.030000000000001 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 5.5 t80 -78.73 -50.33 11.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.420000000000002 110.965 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.66 -4.73 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 m -109.56 -5.93 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 63.149999999999999 109.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.535 ' HB2' HD21 ' A' ' 109' ' ' LEU . 33.9 mm-40 -127.44 -59.25 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 75.099999999999994 110.279 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 1.7 ppt_? -38.47 155.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 73.510000000000005 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.14 -177.22 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 52.109999999999999 109.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -50.19 -23.18 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.25 110.254 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.889 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -59.65 -47.23 86.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 72.310000000000002 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 99.46 13.07 39.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 33.439999999999998 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.2 OUTLIER -120.31 128.67 53.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 73.310000000000002 111.012 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.0 mt -80.7 143.35 33.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 71.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.646 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 97.1 m-85 -121.27 107.7 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 75.439999999999998 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.878 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.5 mtt -128.69 138.91 52.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 64.010000000000005 111.04 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -114.86 121.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 2.5 p90 -105.26 154.96 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 73.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -176.82 178.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 24.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 t -87.73 34.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 63.340000000000003 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.46 ' OE1' ' CZ ' ' A' ' 38' ' ' TYR . 2.9 pt20 -150.36 124.95 9.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 70.450000000000003 110.338 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.521 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 9.8 tt0 -107.86 -7.05 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 54.409999999999997 110.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 61.450000000000003 110.359 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.292 -0.633 . . . . 74.409999999999997 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.746 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 7.1 m0 -71.79 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.01 -1.108 . . . . 73.140000000000001 108.01 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 1.3 m -91.27 155.31 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 75.25 110.389 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 340' ' ' HIS . . . . . 0.416 ' C ' HD22 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -102.28 126.95 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 75.310000000000002 109.636 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.987 HD13 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -97.8 84.24 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 73.230000000000004 109.308 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.455 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.8 OUTLIER -89.6 123.49 33.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 62.219999999999999 109.945 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.464 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.0 OUTLIER -86.26 12.6 9.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 53.030000000000001 110.0 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.455 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -98.19 -32.09 11.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 71.409999999999997 109.313 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.84 -0.72 44.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 61.520000000000003 110.269 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.51 ' CG1' HD13 ' A' ' 66' ' ' ILE . 2.7 m -86.51 -165.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 73.120000000000005 109.386 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 347' ' ' ASP . . . . . 0.591 ' HB3' HH21 ' A' ' 69' ' ' ARG . 2.9 t0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 64.450000000000003 109.296 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.779 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.9 t80 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.522 0.201 . . . . 71.109999999999999 111.04 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 25.9 mt-10 -69.41 -12.87 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 72.439999999999998 110.273 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -84.86 -50.16 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 75.040000000000006 110.301 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -48.64 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.347 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 106' ' ' ASP . 8.4 p -60.49 -23.6 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 72.239999999999995 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -85.74 -17.79 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 74.549999999999997 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.72 -45.52 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 51.310000000000002 109.285 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.883 HG11 ' O ' ' A' ' 107' ' ' GLY . 35.3 m -58.46 -50.21 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 71.230000000000004 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 20' ' ' VAL . 33.1 ttt180 -35.4 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 73.349999999999994 110.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' VAL . 1.8 mt -64.73 -58.09 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 64.329999999999998 109.272 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.797 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -61.77 -22.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 109.33 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -70.25 -28.0 64.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.27 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.97 -25.79 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.367 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.58 -54.81 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 110.3 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 19.0 m-70 -117.22 79.84 11.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.540000000000006 109.616 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.72 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 74.040000000000006 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 p -88.76 30.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 110.338 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -137.95 156.3 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 74.25 109.225 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' A' ' 99' ' ' TYR . 9.6 mm -109.42 117.79 52.18 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 63.340000000000003 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.6 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -74.98 135.26 18.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 60.009999999999998 110.977 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' HB ' ' HE3' ' A' ' 111' ' ' MET . 2.1 m -143.63 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 41.310000000000002 109.257 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.668 HG23 HG22 ' A' ' 50' ' ' THR . 3.1 mm -124.75 95.75 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 63.119999999999997 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.43 HD13 HD11 ' A' ' 67' ' ' ILE . 21.8 mt -95.45 121.51 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 64.400000000000006 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 113' ' ' TYR . 1.5 mp0 -129.28 179.07 5.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 73.349999999999994 110.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -87.22 139.36 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 73.239999999999995 110.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.14 143.1 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 54.109999999999999 111.016 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 14.3 ptmt -55.65 91.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 73.549999999999997 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' TYR . . . 112.7 21.58 6.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 74.450000000000003 110.99 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -87.15 108.59 18.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 62.140000000000001 110.275 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -112.41 -31.11 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 64.400000000000006 109.256 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 3.8 mm-40 -53.58 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 65.430000000000007 110.389 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 71' ' ' LEU . 2.0 mm? -56.21 145.31 57.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 74.319999999999993 109.302 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.65 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.99 175.48 11.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 72.019999999999996 110.949 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -76.19 109.55 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 71.25 109.251 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD22 HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -40.46 146.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 70.209999999999994 109.276 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.57 ' H ' HD13 ' A' ' 47' ' ' LEU . 4.0 m-20 -42.29 -35.27 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 65.120000000000005 109.229 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HD3' HH21 ' A' ' 70' ' ' ARG . 0.0 OUTLIER -165.52 -166.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 64.030000000000001 109.33 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.668 HG22 HG23 ' A' ' 34' ' ' ILE . 4.2 m -113.15 -22.09 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.230000000000004 110.407 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 5.1 mtmm -95.77 128.86 43.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 74.5 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.618 ' HA ' HG22 ' B' ' 339' ' ' THR . 84.3 m-85 -140.37 133.58 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 64.540000000000006 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.556 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 5.9 mt -98.01 103.29 15.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 70.040000000000006 109.326 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.728 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -90.07 142.39 28.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 54.109999999999999 109.26 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.61 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 127.75 10.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 72.209999999999994 110.93 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.489 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -78.12 1.88 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 73.209999999999994 109.386 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' CD2' HG12 ' A' ' 58' ' ' VAL . 8.9 p-80 -95.57 -11.64 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 109.586 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 57' ' ' HIS . 1.6 m -112.83 -173.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 63.399999999999999 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -109.19 172.48 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 54.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.683 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -61.45 -25.72 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.030000000000001 111.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.664 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -57.19 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 60.520000000000003 110.04 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 4.8 mt-10 -42.06 -52.39 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 65.319999999999993 110.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.601 HD12 HG12 ' A' ' 67' ' ' ILE . 3.0 tp -42.81 -42.65 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 75.349999999999994 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.07 -58.42 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 62.299999999999997 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 45.6 mttt -54.81 -36.42 64.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 65.209999999999994 109.36 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.576 HG12 HG12 ' B' ' 346' ' ' VAL . 12.7 mt -69.5 -32.38 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 63.229999999999997 109.252 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.3 mm -73.36 -67.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 74.109999999999999 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.692 HH21 ' HB3' ' B' ' 347' ' ' ASP . 25.6 ptt180 -41.78 -42.07 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 75.109999999999999 110.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -42.62 98.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 73.230000000000004 110.268 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.559 HH21 ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -61.79 -41.15 97.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 71.150000000000006 110.28 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.691 HD21 HD22 ' A' ' 47' ' ' LEU . 40.1 mt -73.53 -13.91 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 72.230000000000004 109.31 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 40.39 49.49 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 73.519999999999996 110.288 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.888 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.2 mt -84.25 -176.25 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 60.030000000000001 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.444 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 25.2 m-20 -117.0 -174.87 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 74.200000000000003 109.304 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.96 60.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 44.43 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' HB2' ' A' ' 74' ' ' ASN . 14.3 p30 -74.84 -28.32 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 109.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.888 ' HG2' HD22 ' A' ' 73' ' ' LEU . 5.3 tp-100 -92.6 118.98 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.299999999999997 110.251 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.81 137.8 31.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 75.299999999999997 109.291 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -135.71 133.31 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.540000000000006 111.033 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.538 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.8 m-85 -143.35 125.12 15.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 53.43 110.998 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -91.58 115.1 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 70.099999999999994 109.273 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 116' ' ' GLN . 3.1 mm? -90.29 106.99 18.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.344 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.676 HG21 ' CE ' ' A' ' 60' ' ' MET . 3.1 t -77.7 111.32 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 75.329999999999998 109.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.412 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 1.8 m-20 67.2 9.76 7.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.256 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 10.45 37.36 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.472 1.108 . . . . 61.149999999999999 111.001 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.642 ' CE1' HG12 ' A' ' 83' ' ' VAL . 23.6 p80 -130.62 139.64 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.591 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.0 OUTLIER -58.05 172.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 72.540000000000006 110.032 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.483 ' O ' HG12 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -130.83 30.41 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 110.991 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.458 ' CG2' ' OE1' ' A' ' 117' ' ' GLU . 89.7 t -56.15 -18.5 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 72.209999999999994 109.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' SER . 32.5 t -104.72 27.12 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 43.149999999999999 110.041 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.683 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -45.61 94.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.3 OUTLIER -129.37 9.1 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.420000000000002 110.003 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.73 HG22 HG23 ' A' ' 98' ' ' VAL . 15.8 m -124.8 145.23 49.13 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 72.010000000000005 110.44 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 140.91 26.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.759 . . . . 74.200000000000003 111.046 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.728 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -49.89 -22.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.510000000000005 109.364 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' OD1' ' A' ' 56' ' ' ASP . 61.8 p -68.82 -39.96 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 73.109999999999999 109.976 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 101' ' ' SER . 20.6 mm-40 -86.4 -53.46 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 74.430000000000007 110.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 93' ' ' THR . 3.3 t -41.9 -29.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 73.030000000000001 109.256 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HB2' HG21 ' A' ' 31' ' ' ILE . 30.3 t80 -76.58 -57.66 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.420000000000002 110.975 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.437 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -70.71 -4.36 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 110.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -108.73 -5.0 16.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 63.149999999999999 109.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.594 ' HB2' HD21 ' A' ' 109' ' ' LEU . 7.3 mm-40 -130.25 -58.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 75.099999999999994 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.62 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 73.510000000000005 110.305 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.448 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -92.82 169.39 10.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 52.109999999999999 109.282 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -44.2 -41.33 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.427 1.079 . . . . 74.25 110.246 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.954 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.7 p-10 -40.65 -44.67 2.2 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 72.310000000000002 109.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.883 ' O ' HG11 ' A' ' 20' ' ' VAL . . . 100.67 44.1 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 33.439999999999998 110.943 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -149.81 131.87 15.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.782 . . . . 73.310000000000002 110.997 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.601 HD13 ' HE3' ' A' ' 111' ' ' MET . 2.3 mt -79.49 148.71 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 71.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -135.05 106.8 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 110.991 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.601 ' HE3' HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -128.39 144.01 51.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 64.010000000000005 110.977 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -109.59 135.62 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 73.329999999999998 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.6 p90 -113.98 142.49 46.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 73.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -161.51 178.44 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 24.0 109.247 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.451 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -90.48 30.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 63.340000000000003 110.023 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.523 ' O ' HD21 ' A' ' 82' ' ' LEU . 4.8 mt-30 -149.24 137.71 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 70.450000000000003 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 2.4 tt0 -119.39 -7.02 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 54.409999999999997 110.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.3 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 61.450000000000003 110.403 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 337' ' ' ASP . . . . . 0.423 ' N ' ' OD2' ' B' ' 337' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.288 -0.634 . . . . 74.409999999999997 109.288 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.797 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -96.63 -154.39 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 108.024 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -91.01 155.17 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.25 110.418 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 340' ' ' HIS . . . . . 0.45 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -104.25 126.56 51.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 75.310000000000002 109.57 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.556 ' HB3' HG21 ' A' ' 66' ' ' ILE . 4.7 mt -107.43 106.0 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.230000000000004 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 25.7 m -109.32 164.06 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 62.219999999999999 109.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.794 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.9 p -90.98 -8.52 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 53.030000000000001 110.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.473 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.9 -22.66 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.409999999999997 109.249 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -85.75 -6.42 59.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 61.520000000000003 110.286 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.794 HG22 ' O ' ' B' ' 343' ' ' SER . 17.2 m -63.5 -175.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 73.120000000000005 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 347' ' ' ASP . . . . . 0.692 ' HB3' HH21 ' A' ' 68' ' ' ARG . 7.7 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 64.450000000000003 109.331 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.019 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.515 0.198 . . . . 71.109999999999999 111.053 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 17' ' ' VAL . 1.5 pt-20 -52.14 -21.07 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 72.439999999999998 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -85.28 -28.88 25.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 75.040000000000006 110.312 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.725 ' NH2' HG21 ' A' ' 34' ' ' ILE . 7.4 ttt180 -89.28 -21.61 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 73.109999999999999 110.341 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.019 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.1 m -75.63 -37.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 72.239999999999995 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -52.91 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 74.549999999999997 110.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.81 -53.12 6.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 51.310000000000002 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.833 HG23 ' CE2' ' A' ' 108' ' ' PHE . 2.3 t -47.34 -45.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 71.230000000000004 109.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -44.36 -38.24 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 73.349999999999994 110.334 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.0 mt -71.4 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.775 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -48.99 -25.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 73.030000000000001 109.252 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.427 HH21 ' HB3' ' A' ' 28' ' ' PRO . 7.6 mmm-85 -77.3 -35.93 54.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 74.040000000000006 110.262 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -89.83 -12.06 40.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 75.540000000000006 110.344 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 47.6 mt-30 -108.95 -20.59 12.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 30.4 m80 -158.92 74.07 3.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.540000000000006 109.587 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HB3' HH21 ' A' ' 24' ' ' ARG . 18.5 Cg_endo -74.97 -28.47 9.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.566 1.824 . . . . 74.040000000000006 111.015 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -89.31 20.4 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.209999999999994 110.378 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 24.4 mmtt -127.57 148.28 50.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 74.25 109.37 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.634 HG23 ' CD2' ' A' ' 99' ' ' TYR . 17.8 mm -97.95 114.92 65.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 63.340000000000003 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.621 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 137.48 21.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 60.009999999999998 110.982 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.04 161.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 41.310000000000002 109.352 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.725 HG21 ' NH2' ' A' ' 16' ' ' ARG . 5.3 mm -135.11 95.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 63.119999999999997 109.329 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 50' ' ' THR . 14.8 mt -92.9 126.37 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -123.4 173.1 8.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 73.349999999999994 110.27 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -83.55 133.24 34.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.239999999999995 110.251 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -57.62 137.88 55.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 54.109999999999999 110.985 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 15.1 ptmt -60.04 96.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 73.549999999999997 109.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.07 19.61 8.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 8.6 tp10 -111.67 105.18 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 62.140000000000001 110.232 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -33.85 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 64.400000000000006 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -38.69 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 65.430000000000007 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD11 ' CA ' ' A' ' 115' ' ' SER . 5.8 mt -54.79 151.7 14.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.319999999999993 109.328 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 72.019999999999996 111.068 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.5 113.85 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 71.25 109.305 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.52 146.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 70.209999999999994 109.315 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.581 ' H ' HD13 ' A' ' 47' ' ' LEU . 9.1 t0 -47.94 -37.68 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HZ3' ' CG ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -154.54 -175.28 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 64.030000000000001 109.291 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 35' ' ' ILE . 11.8 m -114.09 -16.82 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 64.230000000000004 110.384 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 16.1 mtmm -102.73 131.26 49.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.5 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.68 ' HA ' HG22 ' B' ' 339' ' ' THR . 34.6 m-85 -140.5 143.3 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 64.540000000000006 110.976 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.532 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 9.9 mt -106.54 104.59 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 70.040000000000006 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.694 HG11 HD13 ' A' ' 95' ' ' ILE . 2.7 t -87.36 141.1 32.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 54.109999999999999 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.51 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 18.5 Cg_endo -75.0 128.85 11.81 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.415 1.745 . . . . 72.209999999999994 111.019 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -83.4 51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 73.209999999999994 109.321 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.4 p80 -155.95 25.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.655 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.25 -159.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 63.399999999999999 109.342 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -122.55 152.15 40.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 54.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.622 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -43.64 -25.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.030000000000001 110.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.662 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.64 -56.94 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 60.520000000000003 110.026 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' ' 62' ' ' GLU . 10.2 mm-40 -41.99 -49.23 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 65.319999999999993 110.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.467 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -44.11 -47.07 8.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 75.349999999999994 109.312 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 64' ' ' ILE . 4.9 mm -60.92 -50.29 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 62.299999999999997 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -49.67 -38.08 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 65.209999999999994 109.301 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.951 HG21 HD13 ' B' ' 341' ' ' LEU . 2.7 mm -71.36 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 63.229999999999997 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.743 HD11 HD13 ' A' ' 35' ' ' ILE . 20.6 mm -41.7 -68.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.109999999999999 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 11.3 ptm180 -43.99 -44.15 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 110.362 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HG3' HG12 ' B' ' 346' ' ' VAL . 0.8 OUTLIER -61.27 -35.86 78.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 73.230000000000004 110.235 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.2 mmp_? -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 71.150000000000006 110.277 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.46 -13.71 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.230000000000004 109.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 41.14 45.14 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 73.519999999999996 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.862 HD22 ' HG2' ' A' ' 77' ' ' GLN . 4.6 mt -77.0 -176.09 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 60.030000000000001 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.96 -174.94 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 74.200000000000003 109.26 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.92 58.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 44.43 109.316 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.13 -24.62 24.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.294 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.862 ' HG2' HD22 ' A' ' 73' ' ' LEU . 5.4 tp-100 -87.74 120.6 29.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 75.299999999999997 110.404 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 115' ' ' SER . . . -88.41 139.41 30.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 75.299999999999997 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.697 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.1 t80 -139.94 134.63 31.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 75.540000000000006 111.02 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.5 m-85 -143.38 128.74 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 53.43 111.026 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -94.03 109.62 21.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 70.099999999999994 109.253 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.515 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.8 mm? -84.07 111.84 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 74.120000000000005 109.3 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.846 HG22 ' SD ' ' A' ' 111' ' ' MET . 18.3 t -81.42 111.66 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 75.329999999999998 109.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 0.6 OUTLIER 66.36 11.25 7.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.329999999999998 109.351 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.39 8.02 41.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 61.149999999999999 110.946 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.604 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.4 p80 -128.42 130.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 0.806 . . . . 74.019999999999996 109.581 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.471 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.62 172.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 72.540000000000006 110.001 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.448 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -121.97 39.59 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 73.310000000000002 110.99 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.616 HG22 ' OE2' ' A' ' 117' ' ' GLU . 20.9 t -39.53 -30.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 72.209999999999994 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' MET . 11.8 p -116.15 102.45 9.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 43.149999999999999 110.08 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.662 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -106.91 88.46 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 73.430000000000007 109.266 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -125.94 14.34 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 110.047 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.711 HG22 HG23 ' A' ' 98' ' ' VAL . 27.9 m -124.66 144.33 46.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 72.010000000000005 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.94 141.18 26.51 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 111.04 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.694 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -51.68 -22.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 74.510000000000005 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -69.26 -37.9 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 73.109999999999999 109.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' GLU . 29.8 mm-40 -86.54 -51.99 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 110.23 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.711 HG23 HG22 ' A' ' 93' ' ' THR . 23.7 t -44.88 -34.73 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.030000000000001 109.334 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.748 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -81.19 -34.07 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 pt-20 -79.04 -3.98 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -116.74 1.78 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 63.149999999999999 109.925 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 103' ' ' ARG . 5.7 mm-40 -130.24 -50.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 75.099999999999994 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.5 ppt_? -36.67 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 73.510000000000005 110.305 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.73 -175.68 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 52.109999999999999 109.267 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -39.53 -56.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 74.25 110.318 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.861 ' HB3' HG12 ' A' ' 17' ' ' VAL . 19.2 p-10 -47.14 -46.45 23.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 100.69 21.76 12.07 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.54 1.15 . . . . 33.439999999999998 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.833 ' CE2' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -111.0 131.03 55.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 0.827 . . . . 73.310000000000002 111.047 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.748 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.74 133.54 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 71.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 91.8 m-85 -114.86 107.26 15.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 75.439999999999998 111.041 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.846 ' SD ' HG22 ' A' ' 83' ' ' VAL . 2.7 mtt -134.64 146.29 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 64.010000000000005 110.981 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.8 t -115.06 142.82 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 73.329999999999998 109.318 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.534 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.5 p90 -115.97 152.78 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 73.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.95 178.05 9.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 24.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.542 ' CA ' HD11 ' A' ' 44' ' ' LEU . 27.5 t -92.13 20.23 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 63.340000000000003 109.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -150.23 150.2 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 70.450000000000003 110.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.616 ' OE2' HG22 ' A' ' 89' ' ' VAL . 2.6 tt0 -124.33 -1.66 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 54.409999999999997 110.321 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.4 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 61.450000000000003 110.322 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 337' ' ' ASP . . . . . 0.401 ' N ' ' OD2' ' B' ' 337' ' ' ASP . 13.3 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 74.409999999999997 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.775 ' NE1' HD13 ' A' ' 23' ' ' ILE . 19.3 m0 -68.24 -77.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.140000000000001 107.966 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -160.66 -177.22 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 75.25 110.402 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 340' ' ' HIS . . . . . 0.542 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -130.45 113.98 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 75.310000000000002 109.552 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.951 HD13 HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -86.56 85.99 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 73.230000000000004 109.342 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.447 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -91.41 124.19 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 62.219999999999999 110.018 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.848 ' O ' HG22 ' B' ' 346' ' ' VAL . 1.3 p -82.02 0.03 42.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 53.030000000000001 109.997 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.1 -35.47 20.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 71.409999999999997 109.246 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.69 -4.09 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 61.520000000000003 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.848 HG22 ' O ' ' B' ' 343' ' ' SER . 2.7 m -99.63 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 73.120000000000005 109.339 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 64.450000000000003 109.362 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.987 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.4 t80 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.452 0.168 . . . . 71.109999999999999 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.63 -34.41 26.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -75.01 -36.93 61.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 75.040000000000006 110.283 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -16.16 59.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 73.109999999999999 110.261 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 13' ' ' PHE . 46.0 t -79.37 -60.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 72.239999999999995 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.98 -31.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.549999999999997 110.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.486 ' OD1' ' CE ' ' A' ' 51' ' ' LYS . 4.4 t0 -57.41 -65.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 51.310000000000002 109.308 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.6 -46.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 71.230000000000004 109.282 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.45 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -44.64 -37.33 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 73.349999999999994 110.337 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.5 mt -63.56 -65.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 64.329999999999998 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.878 HG12 HD21 ' A' ' 53' ' ' LEU . 1.3 mp -57.64 -17.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 73.030000000000001 109.294 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -78.4 -33.76 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 74.040000000000006 110.289 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.98 -9.76 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 75.540000000000006 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' LEU . 34.6 mt-30 -107.45 -46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.230000000000004 110.238 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ILE . 28.7 m-70 -124.85 74.23 64.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.540000000000006 109.601 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.11 11.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 74.040000000000006 111.02 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -87.99 17.17 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.209999999999994 110.354 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -131.16 163.79 26.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 74.25 109.299 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.625 HG23 ' CG ' ' A' ' 99' ' ' TYR . 22.7 mm -111.17 116.91 50.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 63.340000000000003 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.53 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.02 139.97 24.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 60.009999999999998 110.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -146.06 162.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 41.310000000000002 109.249 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.613 HG22 ' OE2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -130.65 112.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 63.119999999999997 109.269 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 50' ' ' THR . 1.7 mm -106.57 134.87 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 64.400000000000006 109.263 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.613 ' OE2' HG22 ' A' ' 34' ' ' ILE . 1.8 pm0 -154.32 158.14 39.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 73.349999999999994 110.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -66.43 149.71 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 73.239999999999995 110.308 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -67.11 141.26 57.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 54.109999999999999 111.038 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.519 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 23.5 mtmt -57.41 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 73.549999999999997 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.64 6.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 74.450000000000003 110.961 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 9.4 tp10 -111.66 103.89 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 62.140000000000001 110.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -110.98 -28.6 8.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.400000000000006 109.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.0 mm-40 -38.84 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 65.430000000000007 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.94 157.04 6.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 74.319999999999993 109.267 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 166.48 29.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 72.019999999999996 110.976 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.03 135.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 71.25 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.545 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -65.75 140.81 58.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 70.209999999999994 109.301 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.545 ' H ' HD13 ' A' ' 47' ' ' LEU . 29.1 t0 -44.29 -46.19 9.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 65.120000000000005 109.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -144.8 -176.44 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 64.030000000000001 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 35' ' ' ILE . 27.7 m -116.99 -10.08 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 64.230000000000004 110.404 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 12.2 mtmm -113.26 132.62 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 74.5 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.797 ' HB3' HD11 ' B' ' 341' ' ' LEU . 24.1 m-85 -137.13 149.6 47.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 64.540000000000006 110.984 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.878 HD21 HG12 ' A' ' 23' ' ' ILE . 36.9 mt -116.64 104.01 10.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 70.040000000000006 109.331 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.854 HG11 HD13 ' A' ' 95' ' ' ILE . 2.6 t -88.43 141.58 30.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 54.109999999999999 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.545 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.99 124.67 8.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 72.209999999999994 111.04 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 19.2 p-10 -76.43 57.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.209999999999994 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.8 p-80 -163.28 29.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 109.624 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 m -147.63 -158.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 63.399999999999999 109.255 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -119.07 154.76 32.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 54.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.554 ' CE ' HG21 ' A' ' 83' ' ' VAL . 1.5 ppp? -52.71 -21.96 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 72.030000000000001 110.976 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -61.7 -35.12 77.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 60.520000000000003 110.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.61 -50.59 69.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 65.319999999999993 110.327 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 67' ' ' ILE . 6.7 tp -53.57 -36.35 61.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.349999999999994 109.26 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.13 -32.71 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 62.299999999999997 109.308 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -79.2 -39.94 32.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 65.209999999999994 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.84 HG21 ' HB3' ' B' ' 341' ' ' LEU . 11.9 mm -65.7 -30.53 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.229999999999997 109.247 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.602 HG12 HD12 ' A' ' 63' ' ' LEU . 9.6 mm -72.51 -69.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.109999999999999 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.568 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -41.52 -36.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 75.109999999999999 110.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 69' ' ' ARG . 4.5 mmm180 -58.17 -46.68 85.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 110.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' CD ' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.53 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 71.150000000000006 110.338 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.478 ' HB3' HD21 ' A' ' 73' ' ' LEU . 8.3 mt -60.39 -16.97 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 72.230000000000004 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' LEU . 23.3 pt20 38.57 47.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 73.519999999999996 110.346 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.779 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -83.96 -178.3 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 60.030000000000001 109.304 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 4.4 m120 -129.92 -175.02 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 74.200000000000003 109.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.93 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 44.43 109.346 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -51.55 -40.22 59.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.316 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.779 ' HG2' HD22 ' A' ' 73' ' ' LEU . 6.8 tp-100 -91.68 138.01 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 75.299999999999997 110.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.63 127.65 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 75.299999999999997 109.318 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 68' ' ' ARG . 1.1 t80 -116.6 134.55 54.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.540000000000006 110.975 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 117' ' ' GLU . 5.9 m-85 -143.41 121.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 53.43 110.994 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD11 HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -92.5 135.94 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 70.099999999999994 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 81' ' ' LEU . 1.8 mm? -116.3 104.87 11.93 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 74.120000000000005 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.585 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 3.2 t -73.16 108.91 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 75.329999999999998 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.34 24.04 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 73.329999999999998 109.234 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.79 7.83 77.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 61.149999999999999 110.99 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 11.5 p80 -130.22 139.69 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 74.019999999999996 109.584 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.421 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.0 OUTLIER -57.47 172.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 72.540000000000006 110.113 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.41 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -120.06 19.34 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 73.310000000000002 111.069 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 90' ' ' SER . 7.1 p -40.56 120.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 72.209999999999994 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.5 OUTLIER 84.34 44.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 43.149999999999999 110.031 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.587 HG13 ' H ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -37.88 -77.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 73.430000000000007 109.3 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.587 ' H ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER 38.23 30.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 74.420000000000002 109.964 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.691 HG22 HG23 ' A' ' 98' ' ' VAL . 88.1 m -142.11 139.36 17.86 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 72.010000000000005 110.424 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.451 ' HG2' ' CG ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 137.95 22.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.464 1.771 . . . . 74.200000000000003 110.986 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.854 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -53.84 -20.69 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 74.510000000000005 109.279 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.0 p -70.7 -37.93 73.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 73.109999999999999 109.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.451 ' CG ' ' HG2' ' A' ' 94' ' ' PRO . 54.3 mm-40 -85.56 -47.47 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 74.430000000000007 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.691 HG23 HG22 ' A' ' 93' ' ' THR . 7.9 t -52.72 -30.46 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.030000000000001 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.751 ' CD2' HD23 ' A' ' 109' ' ' LEU . 5.0 t80 -82.16 -38.1 25.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.420000000000002 110.985 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -83.41 -3.94 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.239999999999995 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.2 m -112.32 5.83 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 63.149999999999999 110.062 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 109' ' ' LEU . 17.3 mm-40 -135.34 -46.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 75.099999999999994 110.328 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.0 ppt_? -37.29 147.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 73.510000000000005 110.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.81 -174.91 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 52.109999999999999 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.96 -47.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 74.25 110.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 8.4 p-10 -49.66 -48.61 49.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 72.310000000000002 109.329 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.668 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 98.83 12.45 43.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 33.439999999999998 110.97 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -114.34 134.34 55.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 73.310000000000002 111.041 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.751 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -77.88 135.58 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 71.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.453 ' CE2' ' OD1' ' A' ' 106' ' ' ASP . 89.5 m-85 -112.78 120.91 43.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 111.004 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.499 ' SD ' HD21 ' A' ' 63' ' ' LEU . 4.2 mtt -130.96 150.29 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 64.010000000000005 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.518 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.9 t -135.27 119.68 26.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 4.1 p90 -100.82 153.25 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -166.96 179.03 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 24.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.2 t -87.66 20.43 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 63.340000000000003 109.985 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -149.85 136.43 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.450000000000003 110.248 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 5.2 tt0 -120.7 -5.85 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 54.409999999999997 110.348 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 61.450000000000003 110.365 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.31 -0.626 . . . . 74.409999999999997 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.835 ' CE2' HD13 ' A' ' 23' ' ' ILE . 16.5 m0 -46.87 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.140000000000001 108.055 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 179.33 124.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 75.25 110.4 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -79.46 118.35 21.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 75.310000000000002 109.583 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.84 ' HB3' HG21 ' A' ' 66' ' ' ILE . 3.6 mt -81.5 116.16 21.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.230000000000004 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -108.55 127.38 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 62.219999999999999 110.002 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.35 11.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 53.030000000000001 109.99 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -23.01 13.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 71.409999999999997 109.319 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.84 -0.6 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.520000000000003 110.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.557 ' CG1' HD13 ' A' ' 66' ' ' ILE . 4.4 m -76.85 -179.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 73.120000000000005 109.284 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 64.450000000000003 109.306 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.015 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.1 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.474 0.178 . . . . 71.109999999999999 110.963 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' VAL . 23.3 mm-40 -53.06 -19.18 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 72.439999999999998 110.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.39 -29.28 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 75.040000000000006 110.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.737 HH21 HG13 ' A' ' 34' ' ' ILE . 15.1 mtp85 -90.42 -21.87 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 73.109999999999999 110.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.015 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.2 m -75.15 -39.0 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 72.239999999999995 109.333 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -64.58 -14.8 59.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.549999999999997 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.47 ' OD2' ' CE ' ' A' ' 51' ' ' LYS . 22.8 t0 -77.81 -59.1 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 51.310000000000002 109.272 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.991 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.32 -46.77 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 71.230000000000004 109.288 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 44.9 ttm-85 -38.29 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.349999999999994 110.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 2.7 mt -72.92 -64.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 64.329999999999998 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.913 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -53.29 -20.75 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 73.030000000000001 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.72 -36.06 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 74.040000000000006 110.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -8.81 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.540000000000006 110.287 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -103.45 -54.2 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 110.328 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' ND1' HD13 ' A' ' 53' ' ' LEU . 10.8 m-70 -117.75 80.23 13.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.540000000000006 109.618 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -28.24 9.43 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 74.040000000000006 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -89.73 23.98 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 72.209999999999994 110.39 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -135.76 163.14 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 74.25 109.282 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.617 HG23 ' CG ' ' A' ' 99' ' ' TYR . 6.6 mm -116.26 120.38 35.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 63.340000000000003 109.283 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.563 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.502 1.791 . . . . 60.009999999999998 110.978 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.35 155.13 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 41.310000000000002 109.28 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.737 HG13 HH21 ' A' ' 16' ' ' ARG . 16.1 mm -128.03 102.31 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 63.119999999999997 109.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.991 HD13 HD11 ' A' ' 67' ' ' ILE . 29.2 mt -98.78 126.72 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 64.400000000000006 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.618 ' HG2' HG23 ' A' ' 50' ' ' THR . 6.0 mm-40 -136.76 170.87 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 73.349999999999994 110.285 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -79.07 142.4 36.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 110.343 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.4 t80 -61.92 145.08 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 54.109999999999999 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.5 ptpp? -60.0 91.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 73.549999999999997 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.75 20.59 6.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 74.450000000000003 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.7 tp10 -111.08 103.91 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 62.140000000000001 110.282 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -111.91 -31.15 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 64.400000000000006 109.195 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.446 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 27.8 mm-40 -38.48 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 65.430000000000007 110.246 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.639 HD11 ' N ' ' A' ' 115' ' ' SER . 1.1 mp -55.99 156.52 9.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.347 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.489 ' HD2' HD13 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.06 165.2 31.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 72.019999999999996 110.992 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.2 t -81.68 122.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 71.25 109.288 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.815 HD22 HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -40.09 141.68 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 70.209999999999994 109.321 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.456 ' H ' HD13 ' A' ' 47' ' ' LEU . 13.8 t0 -41.94 -42.76 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 109.263 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -147.61 -167.59 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 64.030000000000001 109.299 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.618 HG23 ' HG2' ' A' ' 36' ' ' GLU . 1.8 m -114.36 -28.12 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 64.230000000000004 110.38 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 7.2 mtmm -96.45 129.71 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 74.5 109.287 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 60.1 m-85 -140.45 135.25 31.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 64.540000000000006 110.993 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.913 HD21 HG12 ' A' ' 23' ' ' ILE . 37.4 mt -103.0 103.28 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 70.040000000000006 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.775 HG11 HD13 ' A' ' 95' ' ' ILE . 1.9 t -86.03 142.8 36.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 54.109999999999999 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.656 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.03 132.82 15.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.559 1.82 . . . . 72.209999999999994 110.953 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.11 11.79 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.321 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.453 ' ND1' HG13 ' A' ' 58' ' ' VAL . 28.7 p80 -106.98 -1.45 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 109.598 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 55' ' ' PRO . 4.7 m -119.86 -161.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 63.399999999999999 109.352 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -123.2 171.43 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 54.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.627 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -61.0 -27.13 68.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 72.030000000000001 111.013 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.693 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -60.56 -57.82 11.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 60.520000000000003 110.074 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.84 -47.96 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 65.319999999999993 110.358 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.854 HD23 HD12 ' B' ' 341' ' ' LEU . 0.6 OUTLIER -48.91 -41.24 33.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 109.31 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.45 HD13 HD13 ' A' ' 63' ' ' LEU . 24.6 mm -54.9 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 62.299999999999997 109.291 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -44.69 -38.78 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 65.209999999999994 109.265 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.603 HG21 HD13 ' B' ' 341' ' ' LEU . 1.5 mm -62.76 -58.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 63.229999999999997 109.327 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.991 HD11 HD13 ' A' ' 35' ' ' ILE . 31.8 mm -43.89 -55.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 74.109999999999999 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.521 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.8 mtt180 -42.26 -55.92 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 75.109999999999999 110.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.55 -32.13 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 73.230000000000004 110.329 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -71.26 -51.27 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 71.150000000000006 110.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.815 HD21 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -62.03 -22.55 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 72.230000000000004 109.313 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 22.8 pt20 45.04 55.18 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 73.519999999999996 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.674 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -93.71 -172.27 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 60.030000000000001 109.212 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -110.41 -174.75 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.200000000000003 109.348 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.94 -4.68 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 44.43 109.366 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -96.14 -29.81 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.674 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.2 tp60 -80.9 138.67 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 110.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.15 143.82 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 109.346 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.708 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 2.6 t80 -141.91 133.67 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 75.540000000000006 111.0 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 22.4 m-85 -141.98 115.26 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 53.43 111.022 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.624 HD12 HG13 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -84.72 124.34 31.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 70.099999999999994 109.328 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -100.03 119.1 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.319 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.9 t -85.41 106.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.244 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.42 9.05 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 73.329999999999998 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.61 2.1 37.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 61.149999999999999 110.984 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 19.0 p80 -123.56 129.12 50.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 0.803 . . . . 74.019999999999996 109.583 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.568 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -57.55 172.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 72.540000000000006 109.945 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.61 40.83 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.992 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.3 p -38.63 -31.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 109.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.7 t -122.01 102.6 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 43.149999999999999 109.982 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.693 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -105.11 87.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 73.430000000000007 109.344 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.5 13.6 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 74.420000000000002 109.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.606 HG22 HG23 ' A' ' 98' ' ' VAL . 29.1 m -125.22 144.48 47.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.010000000000005 110.335 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.94 138.73 23.58 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.48 1.779 . . . . 74.200000000000003 111.062 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.775 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -47.53 -25.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 74.510000000000005 109.261 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -64.8 -44.37 90.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 73.109999999999999 110.032 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' SER . 43.6 mt-10 -79.46 -54.88 5.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.35 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.606 HG23 HG22 ' A' ' 93' ' ' THR . 18.9 t -41.75 -33.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.030000000000001 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.617 ' CG ' HG23 ' A' ' 31' ' ' ILE . 2.7 t80 -78.46 -47.4 17.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 73.420000000000002 110.965 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -4.44 33.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.321 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -114.18 -1.17 13.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 63.149999999999999 110.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.754 ' HB2' HD21 ' A' ' 109' ' ' LEU . 10.5 mm-40 -126.37 -57.32 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.44 155.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 73.510000000000005 110.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' GLU . 4.0 t0 -111.24 -178.63 3.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 52.109999999999999 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' ASP . 10.1 mt-10 -38.44 -49.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 74.25 110.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.756 ' CB ' HG12 ' A' ' 17' ' ' VAL . 18.4 p-10 -40.0 -51.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 72.310000000000002 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.991 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 100.84 24.68 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 33.439999999999998 111.03 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.783 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -129.88 133.59 46.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 73.310000000000002 111.052 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.7 mt -79.2 148.65 32.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 71.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.38 107.13 7.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 75.439999999999998 110.996 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.597 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.3 mtt -122.97 148.63 45.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 64.010000000000005 110.973 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.4 t -120.51 125.96 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.346 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 8.1 p90 -106.72 153.67 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 73.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.588 ' HA ' HD13 ' A' ' 44' ' ' LEU . . . -173.14 178.23 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 24.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.639 ' N ' HD11 ' A' ' 44' ' ' LEU . 10.9 t -90.66 31.31 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 63.340000000000003 109.935 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 3.6 pt20 -149.9 123.93 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.450000000000003 110.342 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 5.3 tt0 -107.6 -7.05 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 54.409999999999997 110.274 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 61.450000000000003 110.415 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.256 -0.646 . . . . 74.409999999999997 109.256 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.898 ' CE2' HD13 ' A' ' 23' ' ' ILE . 1.4 m0 -68.26 -153.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 73.140000000000001 107.969 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.83 156.18 16.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 75.25 110.385 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.91 130.99 55.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.310000000000002 109.574 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.854 HD12 HD23 ' A' ' 63' ' ' LEU . 3.3 mt -98.82 123.8 43.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 73.230000000000004 109.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -124.37 127.1 47.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 62.219999999999999 109.989 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.407 ' HA ' ' CG1' ' B' ' 346' ' ' VAL . 0.0 OUTLIER -87.74 11.86 14.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 53.030000000000001 110.038 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -25.38 13.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 71.409999999999997 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.1 -1.05 57.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 61.520000000000003 110.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.407 ' CG1' ' HA ' ' B' ' 343' ' ' SER . 14.9 m -71.64 -173.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 73.120000000000005 109.195 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 37.2 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 64.450000000000003 109.339 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.81 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.523 0.202 . . . . 71.109999999999999 110.976 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.85 -34.77 71.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 72.439999999999998 110.238 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -79.38 -34.04 42.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 110.263 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -73.37 -28.16 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 73.109999999999999 110.311 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 13' ' ' PHE . 94.0 t -77.79 -34.92 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 72.239999999999995 109.257 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -79.12 -37.69 38.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 74.549999999999997 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.87 -49.4 76.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 51.310000000000002 109.339 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.937 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.5 OUTLIER -68.95 -48.97 67.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 71.230000000000004 109.334 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 62.7 ttt180 -43.66 -26.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 73.349999999999994 110.319 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -74.72 -63.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 64.329999999999998 109.317 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.894 HG12 HD21 ' A' ' 53' ' ' LEU . 1.1 mp -51.7 -20.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 73.030000000000001 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 2.5 mmp_? -67.34 -38.21 84.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.040000000000006 110.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' OE2' ' C ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -93.49 -37.4 11.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 75.540000000000006 110.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.484 ' C ' ' CD2' ' A' ' 27' ' ' HIS . 36.9 mt-30 -78.12 -22.45 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 74.230000000000004 110.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.484 ' CD2' ' C ' ' A' ' 26' ' ' GLN . 32.1 m-70 -150.77 71.14 8.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.540000000000006 109.58 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.82 11.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.422 1.748 . . . . 74.040000000000006 110.955 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -88.12 12.08 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.209999999999994 110.38 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 7.9 mmtp -125.83 169.31 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 74.25 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.562 HG21 ' HB2' ' A' ' 99' ' ' TYR . 7.0 mm -119.69 121.01 30.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 63.340000000000003 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.4 Cg_endo -74.87 130.16 13.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 60.009999999999998 111.004 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 111' ' ' MET . 1.5 m -140.9 159.36 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 41.310000000000002 109.279 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.952 HG22 ' OE1' ' A' ' 36' ' ' GLU . 20.4 mm -131.41 118.07 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 63.119999999999997 109.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.847 HD12 HD11 ' A' ' 81' ' ' LEU . 4.1 mm -103.75 127.46 57.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 64.400000000000006 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.952 ' OE1' HG22 ' A' ' 34' ' ' ILE . 2.3 mp0 -133.35 162.19 32.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 73.349999999999994 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -82.09 126.04 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 110.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.64 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.4 t80 -46.91 140.85 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 54.109999999999999 110.94 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -56.82 97.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 73.549999999999997 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CD ' ' A' ' 42' ' ' LYS . . . 112.88 14.65 9.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 74.450000000000003 111.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.575 ' OE1' ' CE1' ' A' ' 113' ' ' TYR . 6.0 tt0 -86.07 122.32 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 0.801 . . . . 62.140000000000001 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -124.05 -42.84 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 64.400000000000006 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -42.34 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 65.430000000000007 110.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.471 HD12 HD11 ' A' ' 73' ' ' LEU . 2.3 mm? -55.14 144.82 48.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 74.319999999999993 109.28 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.93 167.08 27.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 72.019999999999996 110.996 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.57 111.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.25 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.63 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.18 148.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 70.209999999999994 109.312 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.63 ' H ' HD13 ' A' ' 47' ' ' LEU . 45.2 t0 -54.36 -43.28 71.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 65.120000000000005 109.351 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.63 ' HE2' HG21 ' B' ' 339' ' ' THR . 0.0 OUTLIER -142.81 -175.19 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 64.030000000000001 109.354 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.916 HG22 HG23 ' A' ' 34' ' ' ILE . 11.0 m -115.08 -32.29 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 64.230000000000004 110.375 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HA ' HD13 ' A' ' 34' ' ' ILE . 6.5 mtmm -83.69 130.89 34.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 74.5 109.247 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.704 ' HA ' HG22 ' B' ' 339' ' ' THR . 83.4 m-85 -140.43 135.34 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 64.540000000000006 111.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.894 HD21 HG12 ' A' ' 23' ' ' ILE . 41.1 mt -104.33 104.06 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 70.040000000000006 109.319 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.797 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -87.45 142.27 32.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 54.109999999999999 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.622 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.04 131.93 14.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 72.209999999999994 110.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 6.0 p-10 -87.57 44.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -141.55 15.3 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 109.532 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.19 -164.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 63.399999999999999 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -112.22 161.69 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 54.0 109.287 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.642 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.1 ppp? -56.53 -20.54 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 110.972 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.649 ' CB ' HG11 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -62.61 -53.47 54.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 60.520000000000003 110.026 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 20.5 mm-40 -42.12 -55.78 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 65.319999999999993 110.253 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.951 HD12 HD11 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -40.72 -46.57 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 109.308 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mm -53.38 -47.63 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 62.299999999999997 109.274 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' GLU . 37.4 mttt -62.01 -27.92 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 65.209999999999994 109.351 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.691 HG21 HD13 ' B' ' 341' ' ' LEU . 3.5 mm -71.89 -58.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 63.229999999999997 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.636 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 10.5 mm -48.28 -62.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.335 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.9 ptm85 -50.41 -37.31 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 75.109999999999999 110.333 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' B' ' 345' ' ' GLU . 11.4 mmm180 -69.09 -27.14 65.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 73.230000000000004 110.344 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.531 ' HD3' ' HZ1' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -78.15 -42.69 30.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 71.150000000000006 110.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.559 HD21 HD22 ' A' ' 47' ' ' LEU . 18.1 mt -70.38 -13.5 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 109.255 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.4 pt20 44.96 50.15 9.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 73.519999999999996 110.329 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.738 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.4 mt -86.94 -174.05 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 60.030000000000001 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -123.28 -175.79 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 74.200000000000003 109.241 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.22 71.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 44.43 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -64.34 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 74.340000000000003 109.261 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.738 ' HG2' HD22 ' A' ' 73' ' ' LEU . 6.2 tp-100 -87.89 127.12 35.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.299999999999997 110.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 115' ' ' SER . . . -98.09 129.96 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.636 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -130.56 136.89 49.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 75.540000000000006 111.032 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 14.3 m-85 -143.52 131.4 21.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 53.43 110.974 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.847 HD11 HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -102.39 118.66 37.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 70.099999999999994 109.279 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -95.74 101.23 12.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 74.120000000000005 109.333 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.642 HG21 ' CE ' ' A' ' 60' ' ' MET . 3.0 t -66.57 110.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 75.329999999999998 109.329 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.43 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 2.0 m-20 67.08 22.54 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.329999999999998 109.251 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.49 4.99 72.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.56 1.162 . . . . 61.149999999999999 111.027 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.9 p80 -124.41 136.71 54.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 74.019999999999996 109.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.425 ' HA ' HD12 ' A' ' 82' ' ' LEU . 4.8 p -58.14 172.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 72.540000000000006 109.93 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.424 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -129.33 15.09 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 73.310000000000002 111.032 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.493 HG21 ' OE1' ' A' ' 117' ' ' GLU . 88.9 t -40.45 122.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.209999999999994 109.272 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.4 t 81.97 50.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 43.149999999999999 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.649 HG11 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -40.39 100.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 73.430000000000007 109.297 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -114.32 24.91 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.420000000000002 110.041 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.708 HG22 HG23 ' A' ' 98' ' ' VAL . 43.8 m -157.11 139.36 10.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.010000000000005 110.392 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 93' ' ' THR . 18.0 Cg_endo -75.06 147.03 33.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.452 1.764 . . . . 74.200000000000003 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.951 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -55.45 -19.3 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.510000000000005 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.1 67.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.109999999999999 110.025 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 101' ' ' SER . 15.8 mm-40 -93.25 -52.28 4.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 74.430000000000007 110.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.708 HG23 HG22 ' A' ' 93' ' ' THR . 6.6 t -42.74 -29.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.588 ' HA ' HD11 ' A' ' 109' ' ' LEU . 7.2 t80 -75.73 -58.99 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.204 . . . . 73.420000000000002 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 1.8 pt-20 -69.48 -6.65 31.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 110.265 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' GLU . 10.9 m -106.1 -2.11 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 1.129 . . . . 63.149999999999999 110.022 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.684 ' HB2' HD21 ' A' ' 109' ' ' LEU . 16.3 mm-40 -131.27 -60.82 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 75.099999999999994 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.81 146.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 73.510000000000005 110.26 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ASP . 2.0 t0 -100.92 176.8 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.109999999999999 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -39.06 -30.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 74.25 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.602 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -53.6 -51.69 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 72.310000000000002 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.937 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 101.16 10.9 40.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.449 1.093 . . . . 33.439999999999998 111.016 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -117.69 127.47 53.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 73.310000000000002 111.068 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 102' ' ' GLU . 4.4 mt -80.27 136.47 36.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 71.0 109.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -119.07 107.16 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.981 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.614 ' HB3' HD22 ' A' ' 81' ' ' LEU . 20.0 mtt -115.41 148.07 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 64.010000000000005 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.626 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.4 t -123.85 114.51 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 73.329999999999998 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.581 ' HD2' HG22 ' A' ' 35' ' ' ILE . 4.6 p90 -102.14 161.91 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 73.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -179.25 179.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 24.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -87.06 23.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 63.340000000000003 110.014 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -149.67 133.46 16.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 70.450000000000003 110.352 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 5.4 tt0 -116.14 -7.45 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 54.409999999999997 110.362 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 61.450000000000003 110.41 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 6.8 p30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.626 . . . . 74.409999999999997 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -65.13 -155.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.140000000000001 107.945 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.704 HG22 ' HA ' ' A' ' 52' ' ' PHE . 5.4 t -95.82 149.98 20.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 75.25 110.348 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.86 120.97 40.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 75.310000000000002 109.63 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.691 HD13 HG21 ' A' ' 66' ' ' ILE . 2.8 mt -94.41 116.36 28.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 73.230000000000004 109.365 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -113.71 126.09 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 62.219999999999999 109.931 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.835 ' O ' HG22 ' B' ' 346' ' ' VAL . 3.9 p -79.95 -2.06 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 53.030000000000001 110.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -29.36 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 71.409999999999997 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 345' ' ' GLU . . . . . 0.417 ' O ' ' NH2' ' A' ' 69' ' ' ARG . 45.1 mt-10 -77.74 -7.01 55.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 61.520000000000003 110.273 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.835 HG22 ' O ' ' B' ' 343' ' ' SER . 10.3 m -78.86 176.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 64.450000000000003 109.296 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.1 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.517 0.199 . . . . 71.109999999999999 110.998 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -47.81 -42.21 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 110.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -65.18 -40.93 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 75.040000000000006 110.229 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.564 HH21 ' N ' ' A' ' 13' ' ' PHE . 68.6 mtm180 -69.2 -25.24 64.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 110.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.771 HG22 ' CB ' ' A' ' 106' ' ' ASP . 64.6 t -73.22 -45.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 72.239999999999995 109.317 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.62 -49.0 76.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 110.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NE1' ' B' ' 338' ' ' TRP . 1.9 t70 -48.8 -39.11 24.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 51.310000000000002 109.296 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.25 -36.68 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 71.230000000000004 109.306 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -52.53 -21.6 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 73.349999999999994 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -92.82 -63.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 64.329999999999998 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.794 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -49.64 -22.9 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.030000000000001 109.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -76.1 -36.65 58.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 74.040000000000006 110.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.44 -4.58 34.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 75.540000000000006 110.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' LEU . 36.3 mt-30 -106.4 -53.33 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.230000000000004 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -120.94 81.13 34.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.540000000000006 109.62 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.88 -35.26 3.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 74.040000000000006 111.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -89.91 33.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 72.209999999999994 110.377 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -138.52 148.34 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 74.25 109.28 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.663 HG23 ' CG ' ' A' ' 99' ' ' TYR . 28.0 mm -101.9 113.86 65.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.99 136.46 20.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 60.009999999999998 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -146.39 149.05 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 41.310000000000002 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.0 mm -120.86 95.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 63.119999999999997 109.318 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 50' ' ' THR . 58.4 mt -92.19 127.65 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 64.400000000000006 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -127.77 168.53 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 73.349999999999994 110.289 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -79.73 132.24 36.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.239999999999995 110.337 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.694 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.8 t80 -58.16 131.45 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 54.109999999999999 110.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 3.8 ptmm? -51.18 102.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 73.549999999999997 109.327 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.34 13.1 12.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 110.972 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.51 103.93 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 62.140000000000001 110.309 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.95 -33.84 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 64.400000000000006 109.274 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 18.4 mm-40 -51.35 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 65.430000000000007 110.32 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD11 ' N ' ' A' ' 115' ' ' SER . 3.2 mt -54.83 147.58 31.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 74.319999999999993 109.267 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.461 ' HD2' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.555 1.818 . . . . 72.019999999999996 110.954 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.53 131.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.25 109.305 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.66 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -61.44 147.79 43.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.329 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.66 ' H ' HD13 ' A' ' 47' ' ' LEU . 2.3 m-20 -46.98 -40.96 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 65.120000000000005 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.463 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -153.81 -174.11 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 64.030000000000001 109.34 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 35' ' ' ILE . 24.4 m -112.55 -29.42 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 64.230000000000004 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 8.9 mtmm -88.72 123.58 33.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 74.5 109.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.657 ' HB3' HD11 ' B' ' 341' ' ' LEU . 94.2 m-85 -132.27 146.2 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 64.540000000000006 111.033 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.651 HD21 HG12 ' A' ' 23' ' ' ILE . 59.1 mt -113.84 103.76 11.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 70.040000000000006 109.31 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.848 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -87.71 142.38 32.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 54.109999999999999 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.634 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.04 133.11 16.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.789 . . . . 72.209999999999994 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 4.4 p-10 -86.34 44.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.209999999999994 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.957 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.31 14.52 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 74.420000000000002 109.562 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.957 HG13 ' ND1' ' A' ' 57' ' ' HIS . 24.4 m -137.34 -165.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 63.399999999999999 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.472 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -116.52 157.62 24.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 54.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.563 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.1 ppp? -47.35 -24.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.142 . . . . 72.030000000000001 110.954 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.625 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.4 -52.18 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 60.520000000000003 110.035 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' LYS . 6.5 mm-40 -44.84 -49.85 10.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.319999999999993 110.343 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.057 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.06 -40.0 43.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 75.349999999999994 109.269 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.807 HD13 HD13 ' A' ' 63' ' ' LEU . 27.9 mm -62.86 -30.44 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 62.299999999999997 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -75.71 -31.39 59.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 65.209999999999994 109.345 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.87 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.5 mm -70.96 -54.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 63.229999999999997 109.34 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.521 HG21 ' CE1' ' A' ' 79' ' ' PHE . 14.0 mm -52.18 -61.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 109.323 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.725 HH21 HG22 ' A' ' 64' ' ' ILE . 5.5 ptp180 -56.78 -22.4 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 75.109999999999999 110.348 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.684 HH21 ' CB ' ' B' ' 347' ' ' ASP . 5.3 mmt180 -79.76 -24.73 41.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 73.230000000000004 110.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -84.16 -46.14 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 71.150000000000006 110.268 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLN . 6.9 mt -66.44 -25.04 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.230000000000004 109.301 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' LEU . 25.6 pt20 37.47 49.72 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 73.519999999999996 110.243 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.683 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -72.96 -173.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 60.030000000000001 109.351 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 76' ' ' ASN . 19.7 p30 -104.41 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 74.200000000000003 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.67 59.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 44.43 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.415 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . 7.7 t-20 -83.4 -28.39 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.340000000000003 109.32 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.683 ' HG2' HD22 ' A' ' 73' ' ' LEU . 6.8 tp-100 -86.09 138.17 32.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 75.299999999999997 110.316 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.56 128.69 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.299999999999997 109.348 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CE1' HG21 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -120.94 141.93 50.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.540000000000006 110.971 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.93 132.96 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 53.43 110.983 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.474 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -98.33 122.58 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 70.099999999999994 109.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.919 HD21 ' O ' ' A' ' 116' ' ' GLN . 2.5 mm? -105.12 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.9 HG22 ' SD ' ' A' ' 111' ' ' MET . 4.0 t -76.14 111.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.329999999999998 109.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.86 10.92 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 73.329999999999998 109.254 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.96 11.61 39.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 61.149999999999999 111.014 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.63 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.0 p80 -131.23 143.59 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 74.019999999999996 109.658 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.434 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 83.7 p -57.81 166.67 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 72.540000000000006 109.963 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.406 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.78 11.48 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 111.015 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' SER . 6.4 p -39.44 133.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 86.16 22.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 43.149999999999999 109.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.625 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -39.37 97.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 73.430000000000007 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' SER . 18.8 t -131.86 9.42 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 109.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 96.7 m -119.99 143.64 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 72.010000000000005 110.36 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.96 139.56 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 74.200000000000003 111.028 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.848 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.29 -23.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.510000000000005 109.229 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -68.59 -39.21 81.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 73.109999999999999 109.976 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 40.7 mm-40 -85.13 -48.63 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.362 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.421 HG23 HG22 ' A' ' 93' ' ' THR . 38.9 t -48.15 -34.95 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 73.030000000000001 109.288 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.762 ' CD2' HD23 ' A' ' 109' ' ' LEU . 1.2 t80 -80.94 -34.85 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 73.420000000000002 110.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -82.86 -4.24 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 m -114.57 5.61 15.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 63.149999999999999 109.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 103' ' ' ARG . 18.5 mm-40 -134.4 -46.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 75.099999999999994 110.301 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.99 153.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.510000000000005 110.339 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -174.99 2.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 52.109999999999999 109.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.9 -43.84 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 74.25 110.304 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.771 ' CB ' HG22 ' A' ' 17' ' ' VAL . 19.9 p-10 -53.63 -47.7 70.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 72.310000000000002 109.26 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.8 23.94 7.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 33.439999999999998 111.023 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.767 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.07 132.33 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 73.310000000000002 111.023 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.79 138.75 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 71.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -126.22 106.85 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 111.026 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.9 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.2 mtt -133.31 154.07 51.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 64.010000000000005 110.965 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -116.09 143.89 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 73.329999999999998 109.301 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -121.72 139.93 52.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.694 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -168.29 179.23 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 24.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.493 ' N ' HD11 ' A' ' 44' ' ' LEU . 23.6 t -85.7 39.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 110.019 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.919 ' O ' HD21 ' A' ' 82' ' ' LEU . 2.4 mt-30 -147.73 128.62 14.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 70.450000000000003 110.31 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 80' ' ' PHE . 9.7 tt0 -127.38 -2.81 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 54.409999999999997 110.306 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 61.450000000000003 110.416 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.284 -0.635 . . . . 74.409999999999997 109.284 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.794 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -82.13 -153.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 73.140000000000001 108.005 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.413 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -98.23 147.36 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 75.25 110.4 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.87 123.51 46.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 109.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.87 ' HB3' HG21 ' A' ' 66' ' ' ILE . 4.8 mt -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 109.35 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.46 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -111.38 123.11 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 62.219999999999999 109.984 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.658 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.4 OUTLIER -85.19 10.52 12.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 53.030000000000001 110.041 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.09 -29.65 13.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 71.409999999999997 109.313 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.6 -1.4 57.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.520000000000003 110.287 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 343' ' ' SER . 22.3 m -76.97 178.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 73.120000000000005 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 347' ' ' ASP . . . . . 0.684 ' CB ' HH21 ' A' ' 69' ' ' ARG . 14.8 t0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 64.450000000000003 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.797 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.0 t80 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.478 0.18 . . . . 71.109999999999999 110.957 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.499 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 8.2 mt-10 -65.59 -31.07 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 110.337 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.858 ' HB3' HH21 ' A' ' 16' ' ' ARG . 6.0 mm100 -70.57 -47.29 60.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 75.040000000000006 110.279 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.858 HH21 ' HB3' ' A' ' 15' ' ' GLN . 5.9 mmp_? -61.58 -55.02 35.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 73.109999999999999 110.298 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 106' ' ' ASP . 7.1 p -56.46 -38.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.239999999999995 109.295 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 24.2 tt0 -55.15 -57.7 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 74.549999999999997 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' ARG . 9.8 t0 -49.92 -53.86 23.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 51.310000000000002 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.648 HG21 ' O ' ' A' ' 107' ' ' GLY . 8.5 t -39.77 -32.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 71.230000000000004 109.319 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 8.7 ttt85 -57.28 -53.12 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 73.349999999999994 110.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.9 mt -56.84 -51.09 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 64.329999999999998 109.292 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.802 HD13 ' CE2' ' B' ' 338' ' ' TRP . 1.2 tp -62.26 -27.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 73.030000000000001 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.3 mmm180 -71.9 -33.42 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.261 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -100.61 -4.7 27.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 75.540000000000006 110.27 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 22' ' ' LEU . 26.3 mt-30 -106.6 -59.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 110.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.66 ' CG ' HD13 ' A' ' 53' ' ' LEU . 6.6 m80 -117.02 80.75 11.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 74.540000000000006 109.657 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -75.0 -32.78 5.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.552 1.817 . . . . 74.040000000000006 111.07 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -89.64 30.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.439 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 24.2 mmtt -138.13 144.93 41.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 74.25 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.628 HG23 ' CG ' ' A' ' 99' ' ' TYR . 17.0 mm -96.64 114.55 64.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 63.340000000000003 109.341 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.93 131.99 15.01 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.451 1.764 . . . . 60.009999999999998 111.018 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.67 160.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 41.310000000000002 109.344 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.554 HG12 ' CE1' ' A' ' 108' ' ' PHE . 1.9 mm -134.9 95.9 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 63.119999999999997 109.274 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.454 HD13 HG13 ' A' ' 67' ' ' ILE . 49.5 mt -95.89 129.17 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 64.400000000000006 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -131.83 165.7 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 73.349999999999994 110.323 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -73.62 136.07 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 73.239999999999995 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -57.53 139.95 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 54.109999999999999 111.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 13.4 ptmt -59.44 98.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 73.549999999999997 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.51 20.24 9.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 111.049 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.5 tm-20 -110.52 103.84 12.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 62.140000000000001 110.254 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 -22.43 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.299 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -44.29 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 65.430000000000007 110.348 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.64 HD11 ' N ' ' A' ' 115' ' ' SER . 1.2 mp -58.98 154.67 37.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.319999999999993 109.332 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD2' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 165.89 30.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 72.019999999999996 110.99 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.6 t -83.29 122.77 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 71.25 109.319 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.98 146.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 70.209999999999994 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.604 ' H ' HD13 ' A' ' 47' ' ' LEU . 1.3 m-20 -47.66 -44.78 27.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 65.120000000000005 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.445 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.1 OUTLIER -139.95 -172.15 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 64.030000000000001 109.392 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 m -113.98 -28.97 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 64.230000000000004 110.431 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.6 mtmp? -94.5 126.08 39.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 74.5 109.235 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 87.5 m-85 -135.87 126.96 27.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 64.540000000000006 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD13 ' CG ' ' A' ' 27' ' ' HIS . 14.0 mt -92.79 103.83 16.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 70.040000000000006 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.872 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -86.61 141.59 34.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 54.109999999999999 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.553 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 134.23 17.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.413 1.744 . . . . 72.209999999999994 110.954 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.7 p-10 -86.85 46.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.938 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -144.04 16.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 74.420000000000002 109.531 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.938 HG13 ' ND1' ' A' ' 57' ' ' HIS . 18.8 m -136.64 -162.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 63.399999999999999 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -113.82 174.66 5.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 54.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.627 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.5 ppp? -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 72.030000000000001 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.966 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -67.44 -42.44 83.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 60.520000000000003 109.959 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.04 -30.56 48.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.422 1.076 . . . . 65.319999999999993 110.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.784 HD23 HD12 ' B' ' 341' ' ' LEU . 0.4 OUTLIER -65.97 -29.63 70.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 75.349999999999994 109.322 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.966 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.3 mt -75.82 -41.9 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 62.299999999999997 109.258 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 65' ' ' LYS . 6.9 mmtt -61.96 -23.66 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 65.209999999999994 109.308 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.585 ' CG2' HD22 ' B' ' 341' ' ' LEU . 97.2 mt -89.32 -62.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 63.229999999999997 109.297 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.555 HG12 HD22 ' A' ' 63' ' ' LEU . 14.5 mm -39.78 -48.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 74.109999999999999 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 4.2 ptm85 -61.24 -44.16 97.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 75.109999999999999 110.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 14.8 mmm180 -57.88 -30.99 66.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.437 1.086 . . . . 73.230000000000004 110.276 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -40.4 64.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 71.150000000000006 110.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.549 ' HG ' HD22 ' A' ' 47' ' ' LEU . 33.8 mt -69.26 -8.61 47.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 72.230000000000004 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 21.9 pt20 45.83 39.62 5.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 73.519999999999996 110.323 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.658 HD22 ' HG2' ' A' ' 77' ' ' GLN . 18.1 mt -71.85 172.92 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 60.030000000000001 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -108.43 167.65 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 74.200000000000003 109.383 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.32 -15.69 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 44.43 109.272 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -86.13 -23.54 26.57 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 109.293 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.658 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.4 tp60 -83.39 139.4 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 75.299999999999997 110.317 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.21 138.37 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 75.299999999999997 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.763 ' HE1' HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -143.22 147.75 35.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 111.027 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 39.1 m-85 -143.46 119.98 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 53.43 110.956 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.62 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -86.75 109.66 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 70.099999999999994 109.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.637 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -92.09 116.06 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.120000000000005 109.307 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.867 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.8 t -85.79 110.65 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 75.329999999999998 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.84 7.18 5.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 73.329999999999998 109.277 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.22 6.75 38.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 61.149999999999999 110.976 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.7 p80 -128.32 139.19 52.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 74.019999999999996 109.594 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.726 ' HB2' HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -57.62 171.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 72.540000000000006 110.008 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.623 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -113.93 15.19 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 73.310000000000002 110.953 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.726 HG13 ' HB2' ' A' ' 87' ' ' SER . 3.2 m -40.24 126.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.209999999999994 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 89.13 21.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 43.149999999999999 110.036 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.627 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.21 107.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 73.430000000000007 109.369 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.77 12.38 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 110.06 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 54.3 m -124.18 143.21 42.02 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.462 1.101 . . . . 72.010000000000005 110.394 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.03 143.9 29.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 74.200000000000003 110.987 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.872 HD13 HG11 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -54.65 -20.23 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.510000000000005 109.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.5 p -68.77 -36.59 78.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 73.109999999999999 109.996 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' SER . 5.9 mm-40 -91.67 -50.06 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.05 -38.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.723 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -77.42 -36.04 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 73.420000000000002 111.003 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -81.49 -4.17 55.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.91 5.93 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 63.149999999999999 110.102 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 103' ' ' ARG . 21.4 mm-40 -133.59 -48.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 75.099999999999994 110.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.16 149.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 73.510000000000005 110.363 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 -175.11 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 52.109999999999999 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -49.71 -47.73 50.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 74.25 110.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.872 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.1 p-10 -46.25 -50.48 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 72.310000000000002 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.648 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 102.21 45.48 1.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 33.439999999999998 110.987 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -145.28 131.38 19.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 73.310000000000002 110.987 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.723 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.47 138.25 38.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 71.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -124.6 108.97 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 75.439999999999998 110.97 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.867 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.6 mtt -130.27 139.17 50.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 64.010000000000005 111.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.0 t -110.55 133.76 54.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 73.329999999999998 109.302 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.565 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.8 p90 -113.19 152.93 29.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 1.149 . . . . 73.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.91 178.84 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 24.0 109.337 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.64 ' N ' HD11 ' A' ' 44' ' ' LEU . 6.5 t -88.18 24.29 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 63.340000000000003 110.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.8 tp60 -149.91 142.23 24.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 110.365 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.563 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 4.6 tt0 -122.49 -2.21 8.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 54.409999999999997 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 74.3 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 61.450000000000003 110.446 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.244 -0.65 . . . . 74.409999999999997 109.244 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.802 ' CE2' HD13 ' A' ' 23' ' ' ILE . 3.6 m0 -76.83 -152.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 73.140000000000001 108.022 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' B' ' 340' ' ' HIS . 2.1 m -89.49 168.74 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.25 110.406 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 340' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -125.04 121.68 35.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.310000000000002 109.569 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.784 HD12 HD23 ' A' ' 63' ' ' LEU . 6.8 mt -99.28 113.95 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 109.312 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.46 ' HB2' ' CG ' ' B' ' 345' ' ' GLU . 0.7 OUTLIER -111.45 123.96 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 62.219999999999999 109.976 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.761 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.3 OUTLIER -78.13 0.59 24.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 53.030000000000001 109.936 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -21.16 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 71.409999999999997 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 345' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' B' ' 342' ' ' SER . 5.0 mm-40 -87.43 -7.39 57.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 61.520000000000003 110.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.761 HG22 ' O ' ' B' ' 343' ' ' SER . 29.9 m -79.89 -177.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 73.120000000000005 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 64.450000000000003 109.278 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.673 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.8 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.506 0.193 . . . . 71.109999999999999 110.998 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HA ' HG12 ' A' ' 17' ' ' VAL . 2.7 pt-20 -81.95 -21.5 37.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 72.439999999999998 110.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -82.96 -19.98 36.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 75.040000000000006 110.292 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -90.84 -38.18 13.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 110.294 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 13' ' ' PHE . 6.8 p -76.01 -34.99 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 72.239999999999995 109.278 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.09 -47.05 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 74.549999999999997 110.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 51.310000000000002 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.611 ' CG2' ' CD2' ' A' ' 108' ' ' PHE . 26.5 t -55.79 -24.63 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 71.230000000000004 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -58.76 -44.19 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 73.349999999999994 110.34 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.4 mt -62.6 -54.84 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 64.329999999999998 109.376 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.881 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -61.49 -26.67 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.341 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.2 mmm180 -72.54 -33.41 66.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 74.040000000000006 110.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.58 -4.93 27.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.540000000000006 110.368 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.498 ' NE2' ' OD2' ' B' ' 337' ' ' ASP . 6.2 mt-30 -104.86 -58.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 74.230000000000004 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -117.19 80.83 12.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 109.592 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.505 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.93 -32.58 5.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 74.040000000000006 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.9 p -89.83 30.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 72.209999999999994 110.481 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -136.46 151.66 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 74.25 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.634 HG23 ' CG ' ' A' ' 99' ' ' TYR . 17.0 mm -103.65 113.59 65.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 63.340000000000003 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -74.96 139.28 24.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 60.009999999999998 110.946 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 52' ' ' PHE . 3.5 m -142.45 161.81 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 41.310000000000002 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.556 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -135.91 95.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 63.119999999999997 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.969 HD13 HD11 ' A' ' 67' ' ' ILE . 9.9 mt -95.36 131.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 64.400000000000006 109.361 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 36' ' ' GLU . 3.6 mp0 -132.62 173.78 10.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 73.349999999999994 110.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -80.43 137.48 36.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 73.239999999999995 110.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -61.65 137.16 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 54.109999999999999 110.959 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.8 mtmt -59.73 99.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.549999999999997 109.254 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.63 18.12 9.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 74.450000000000003 110.972 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -109.28 108.08 18.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 62.140000000000001 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.89 -36.0 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 64.400000000000006 109.25 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 35.4 mt-30 -38.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 65.430000000000007 110.405 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.9 mt -54.94 152.25 14.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.299 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.72 28.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.488 1.783 . . . . 72.019999999999996 110.987 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.01 121.93 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 71.25 109.235 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.578 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.19 149.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 70.209999999999994 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.578 ' H ' HD13 ' A' ' 47' ' ' LEU . 39.3 t0 -58.93 -37.92 77.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HE3' ' CB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -144.64 -177.86 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 64.030000000000001 109.322 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -113.39 -31.95 6.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 64.230000000000004 110.449 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.9 mtmp? -93.59 135.91 34.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.5 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.627 ' HB3' HD11 ' B' ' 341' ' ' LEU . 11.1 m-85 -139.99 140.21 36.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 64.540000000000006 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.623 HD21 HG12 ' A' ' 23' ' ' ILE . 19.3 mt -109.2 104.26 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 70.040000000000006 109.31 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.541 HG11 HD13 ' A' ' 95' ' ' ILE . 2.6 t -91.54 141.44 25.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 54.109999999999999 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.536 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 135.47 19.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 72.209999999999994 110.982 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 5.9 p-10 -85.86 48.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 73.209999999999994 109.362 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.838 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.97 21.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 74.420000000000002 109.598 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.838 HG13 ' ND1' ' A' ' 57' ' ' HIS . 33.5 m -137.26 -167.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 63.399999999999999 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -116.72 148.55 40.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 54.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.644 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.8 ppp? -42.83 -26.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 110.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.655 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.98 -47.61 77.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 60.520000000000003 110.033 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE2' HG11 ' A' ' 58' ' ' VAL . 7.1 mt-10 -47.27 -52.15 16.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 65.319999999999993 110.35 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 67' ' ' ILE . 3.2 tp -47.04 -32.59 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 75.349999999999994 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mm -71.23 -41.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 62.299999999999997 109.251 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 25.1 mtpp -65.0 -35.77 82.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 65.209999999999994 109.262 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.7 mm -70.9 -57.71 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.264 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.969 HD11 HD13 ' A' ' 35' ' ' ILE . 20.5 mm -46.09 -68.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 74.109999999999999 109.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 12.1 ptm180 -44.17 -42.63 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 75.109999999999999 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' CZ ' ' O ' ' B' ' 345' ' ' GLU . 9.1 mmm180 -62.12 -36.26 81.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 73.230000000000004 110.318 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -67.5 -46.09 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 71.150000000000006 110.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 73' ' ' LEU . 9.8 mt -64.4 -12.74 46.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 109.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.2 pt20 45.93 40.8 7.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 73.519999999999996 110.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.8 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.8 mt -80.19 -176.52 5.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 60.030000000000001 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -121.31 -178.55 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 74.200000000000003 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.17 62.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 44.43 109.4 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.32 -25.85 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 74.340000000000003 109.353 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.8 ' HG2' HD22 ' A' ' 73' ' ' LEU . 6.2 tp-100 -91.36 129.56 37.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.299999999999997 110.228 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.57 129.44 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 75.299999999999997 109.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.639 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -135.51 134.65 39.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 75.540000000000006 111.015 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 22.4 m-85 -143.33 116.0 8.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 53.43 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 HG13 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -84.93 119.01 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 70.099999999999994 109.267 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.63 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -93.45 120.33 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.306 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.886 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.9 t -87.27 108.2 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 75.329999999999998 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.66 10.29 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 109.315 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.91 3.11 45.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 61.149999999999999 111.043 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 5.7 p80 -124.59 129.97 51.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 0.742 . . . . 74.019999999999996 109.595 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.571 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.8 172.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 72.540000000000006 109.972 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.96 40.93 3.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 110.971 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -39.26 -30.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 72.209999999999994 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.3 m -119.55 103.85 9.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 43.149999999999999 109.953 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.655 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -108.5 86.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 73.430000000000007 109.263 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -124.81 18.08 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 74.420000000000002 110.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.837 HG22 HG23 ' A' ' 98' ' ' VAL . 3.6 m -129.89 145.97 59.36 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 72.010000000000005 110.368 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -74.96 143.52 29.31 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.467 1.772 . . . . 74.200000000000003 111.034 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.541 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -53.21 -21.07 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 74.510000000000005 109.27 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.7 p -71.26 -35.73 71.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 73.109999999999999 110.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 48.5 mm-40 -88.44 -51.82 5.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.837 HG23 HG22 ' A' ' 93' ' ' THR . 6.0 t -47.01 -33.21 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 73.030000000000001 109.272 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.634 ' CG ' HG23 ' A' ' 31' ' ' ILE . 2.3 t80 -79.46 -37.63 36.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 73.420000000000002 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.29 -3.5 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.9 3.39 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 63.149999999999999 110.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.724 ' HB2' HD21 ' A' ' 109' ' ' LEU . 3.8 mm-40 -134.16 -51.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 75.099999999999994 110.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 5.5 ppt_? -34.74 150.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.510000000000005 110.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -96.66 -174.87 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 52.109999999999999 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 6.7 mm-40 -54.49 -38.79 66.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 74.25 110.361 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.636 ' C ' ' OD1' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -57.38 -47.59 81.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 109.318 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.68 27.6 4.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 33.439999999999998 110.956 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.643 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -120.62 133.29 55.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 73.310000000000002 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.3 mt -83.28 147.95 27.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 71.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -126.73 106.94 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 75.439999999999998 110.979 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.886 ' SD ' HG22 ' A' ' 83' ' ' VAL . 4.1 mtt -128.99 133.17 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 64.010000000000005 111.027 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -110.24 124.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 73.329999999999998 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 4.1 p90 -103.34 153.74 20.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 73.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.78 178.48 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 24.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.25 30.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 63.340000000000003 110.045 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.79 126.03 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 70.450000000000003 110.354 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 11.0 tt0 -110.05 -7.1 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 54.409999999999997 110.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.4 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 110.385 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 337' ' ' ASP . . . . . 0.498 ' OD2' ' NE2' ' A' ' 26' ' ' GLN . 11.2 m-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.622 . . . . 74.409999999999997 109.322 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.881 ' NE1' HD13 ' A' ' 23' ' ' ILE . 3.4 m0 -61.79 -152.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 73.140000000000001 107.971 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -100.26 146.67 26.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.25 110.391 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 340' ' ' HIS . . . . . 0.582 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.2 OUTLIER -100.51 123.49 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 75.310000000000002 109.602 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.856 ' HB3' HG21 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -89.89 119.85 30.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 73.230000000000004 109.376 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.479 ' O ' HG13 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -113.21 120.24 40.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 62.219999999999999 110.046 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' GLU . 3.8 t -90.1 21.68 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 53.030000000000001 109.987 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -105.43 -29.57 10.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 71.409999999999997 109.32 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 345' ' ' GLU . . . . . 0.412 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.3 mt-10 -93.55 -2.24 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.520000000000003 110.249 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.697 ' CG1' HD13 ' A' ' 66' ' ' ILE . 22.3 m -77.06 -171.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 73.120000000000005 109.264 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 64.450000000000003 109.278 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.058 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.429 0.157 . . . . 71.109999999999999 111.009 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' VAL . 4.4 mt-10 -52.42 -20.11 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 72.439999999999998 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.25 -30.47 25.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 75.040000000000006 110.246 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -90.75 -19.02 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 73.109999999999999 110.342 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.058 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.2 m -81.56 -43.1 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.239999999999995 109.328 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.54 -22.79 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.549999999999997 110.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.19 -57.73 6.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 51.310000000000002 109.301 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.919 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -49.83 -44.16 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 71.230000000000004 109.306 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 40.8 ttt180 -38.43 -38.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 73.349999999999994 110.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.44 -59.43 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 64.329999999999998 109.246 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.778 HD13 ' CE2' ' B' ' 338' ' ' TRP . 0.9 OUTLIER -54.08 -23.48 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 109.236 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -71.3 -32.91 69.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -100.91 -5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.540000000000006 110.336 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -107.25 -60.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 110.345 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.449 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 56.6 m-70 -119.59 78.23 20.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.6 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.44 11.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.514 1.797 . . . . 74.040000000000006 111.043 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -89.17 21.09 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 72.209999999999994 110.409 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 18.9 mmtt -132.7 156.9 46.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 74.25 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.612 ' O ' HG12 ' A' ' 54' ' ' VAL . 16.3 mm -107.33 121.8 43.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 63.340000000000003 109.283 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.93 141.92 27.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 60.009999999999998 111.022 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.68 162.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 41.310000000000002 109.257 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.4 mm -136.39 96.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 63.119999999999997 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.93 HD13 HD11 ' A' ' 67' ' ' ILE . 11.4 mt -94.85 121.91 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 64.400000000000006 109.321 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' CD ' HG21 ' A' ' 50' ' ' THR . 6.5 mm-40 -127.63 174.85 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 73.349999999999994 110.314 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -85.02 131.7 34.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 2.1 t80 -53.79 136.55 39.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 54.109999999999999 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -58.04 103.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 73.549999999999997 109.271 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.07 20.19 14.71 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 111.007 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.6 tm-20 -112.52 109.88 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 62.140000000000001 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -21.94 11.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 64.400000000000006 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 65.430000000000007 110.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.644 HD12 ' HD1' ' A' ' 113' ' ' TYR . 13.6 mt -54.76 148.44 26.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 74.319999999999993 109.252 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.46 8.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 72.019999999999996 111.011 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.44 107.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 71.25 109.356 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.071 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.3 145.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 70.209999999999994 109.316 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.576 ' H ' HD13 ' A' ' 47' ' ' LEU . 55.2 m-20 -44.37 -38.07 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.265 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -161.53 -169.75 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 64.030000000000001 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.5 HG21 ' CD ' ' A' ' 36' ' ' GLU . 3.2 m -115.2 -32.71 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 64.230000000000004 110.435 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.564 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 15.5 mtmm -92.46 129.91 38.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 74.5 109.34 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.65 ' HB3' HD11 ' B' ' 341' ' ' LEU . 45.6 m-85 -140.87 136.31 32.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 64.540000000000006 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.538 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 6.0 mt -100.14 103.09 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 70.040000000000006 109.269 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.747 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.8 p -93.82 143.75 27.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 54.109999999999999 109.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.747 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.02 127.05 10.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 72.209999999999994 111.008 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.05 53.23 2.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 73.209999999999994 109.306 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.7 p-80 -154.61 28.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.54 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.19 -163.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 63.399999999999999 109.299 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.63 148.49 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 54.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.611 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.2 ppp? -47.11 -23.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 72.030000000000001 111.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.673 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -53.52 57.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 60.520000000000003 109.978 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' LYS . 15.7 mm-40 -42.3 -51.75 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 65.319999999999993 110.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 95' ' ' ILE . 1.4 tt -44.34 -46.03 9.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 75.349999999999994 109.237 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 64' ' ' ILE . 6.1 mm -58.92 -40.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 62.299999999999997 109.256 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 16.9 mtpp -69.74 -23.95 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 65.209999999999994 109.297 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.962 HG21 ' HB3' ' B' ' 341' ' ' LEU . 15.8 mm -82.77 -34.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 63.229999999999997 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.93 HD11 HD13 ' A' ' 35' ' ' ILE . 9.4 mm -72.0 -69.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.109999999999999 109.354 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 5.6 ptm180 -45.43 -34.43 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 110.262 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 1.4 mpt_? -62.13 -39.68 93.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 73.230000000000004 110.272 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.9 mtt-85 -69.57 -51.25 37.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 71.150000000000006 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.071 HD21 HD22 ' A' ' 47' ' ' LEU . 26.5 mt -61.3 -19.76 62.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 72.230000000000004 109.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 39.74 43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 110.342 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.866 HD22 ' HG2' ' A' ' 77' ' ' GLN . 2.4 mt -75.19 169.04 18.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 60.030000000000001 109.282 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -109.43 176.62 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 74.200000000000003 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.52 -40.36 71.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 44.43 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -56.0 -39.41 71.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 74.340000000000003 109.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.866 ' HG2' HD22 ' A' ' 73' ' ' LEU . 5.9 tp-100 -92.46 125.5 37.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 75.299999999999997 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.27 136.08 43.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 75.299999999999997 109.285 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -129.29 134.77 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 75.540000000000006 111.032 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 117' ' ' GLU . 12.9 m-85 -143.48 117.46 9.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.471 1.107 . . . . 53.43 110.986 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -85.64 114.18 22.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 70.099999999999994 109.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -89.04 116.76 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 74.120000000000005 109.344 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.689 HG11 ' OE1' ' A' ' 102' ' ' GLU . 55.0 t -81.72 113.67 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 75.329999999999998 109.312 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.83 20.59 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 73.329999999999998 109.289 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.82 6.85 61.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 61.149999999999999 111.021 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 22.8 p80 -128.14 127.61 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 74.019999999999996 109.633 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.485 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 15.4 p -57.65 172.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 72.540000000000006 109.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -119.84 42.86 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 73.310000000000002 110.985 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.1 p -39.2 -30.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 72.209999999999994 109.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.7 t -118.85 105.09 11.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 43.149999999999999 110.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.673 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -109.91 87.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.286 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -126.84 19.81 7.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.420000000000002 110.065 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.583 HG23 ' HD2' ' A' ' 94' ' ' PRO . 21.5 m -130.11 144.82 54.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.010000000000005 110.394 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.06 138.16 22.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 74.200000000000003 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.838 HD11 HD12 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -46.47 -32.16 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 74.510000000000005 109.347 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.3 p -57.2 -43.02 82.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 73.109999999999999 109.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLU . 47.8 mt-10 -83.07 -54.66 4.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 74.430000000000007 110.274 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.578 HG23 HG22 ' A' ' 93' ' ' THR . 5.2 t -41.6 -32.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 73.030000000000001 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.585 ' CD2' HG23 ' A' ' 31' ' ' ILE . 1.9 t80 -79.09 -46.5 17.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 73.420000000000002 110.989 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' GLU . 7.0 pt-20 -71.62 -4.73 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.239999999999995 110.313 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -111.35 -7.49 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 63.149999999999999 109.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 109' ' ' LEU . 93.4 mt-10 -123.85 -58.35 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 75.099999999999994 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.78 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 110.336 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.07 -176.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 52.109999999999999 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ASP . 36.5 mm-40 -44.99 -50.44 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.25 110.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.686 ' CB ' HG12 ' A' ' 17' ' ' VAL . 11.5 p-10 -39.33 -51.47 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.310000000000002 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.919 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 101.45 31.18 5.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 33.439999999999998 110.992 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -132.97 129.86 38.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 73.310000000000002 110.97 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.5 mt -78.44 139.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 71.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.468 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 87.0 m-85 -119.06 107.4 13.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 75.439999999999998 111.066 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.62 ' SD ' HG22 ' A' ' 83' ' ' VAL . 6.1 mtt -128.59 139.16 52.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 64.010000000000005 111.031 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.7 t -114.66 121.99 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 73.329999999999998 109.29 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.644 ' HD1' HD12 ' A' ' 44' ' ' LEU . 10.2 p90 -100.4 151.72 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -170.77 179.2 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 24.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.8 t -88.33 24.06 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 63.340000000000003 109.962 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.5 pt20 -144.48 124.78 13.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -107.03 -13.61 15.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 54.409999999999997 110.296 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 61.450000000000003 110.372 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.301 -0.629 . . . . 74.409999999999997 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.784 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 29.7 m0 -54.14 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.036 -1.098 . . . . 73.140000000000001 108.036 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.732 HG23 ' N ' ' B' ' 340' ' ' HIS . 0.6 OUTLIER -157.81 -169.53 2.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 1.103 . . . . 75.25 110.339 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 340' ' ' HIS . . . . . 0.732 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.86 117.82 12.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 75.310000000000002 109.597 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.962 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -93.67 84.38 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.486 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -84.77 136.42 33.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 62.219999999999999 110.056 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.503 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.5 OUTLIER -91.34 8.72 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 53.030000000000001 110.043 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -33.19 10.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.409999999999997 109.303 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.1 -11.79 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 61.520000000000003 110.279 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.708 ' CG1' HD13 ' A' ' 66' ' ' ILE . 32.2 m -61.18 -170.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 73.120000000000005 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 64.450000000000003 109.286 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.7 t80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.588 0.232 . . . . 71.109999999999999 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -47.01 -42.28 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 72.439999999999998 110.323 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -69.1 -42.72 75.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.529 HH22 HG21 ' A' ' 34' ' ' ILE . 13.8 mtp180 -63.13 -27.01 69.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 73.109999999999999 110.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.72 HG22 ' HA ' ' A' ' 106' ' ' ASP . 89.8 t -84.98 -39.37 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 72.239999999999995 109.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 74.549999999999997 110.303 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -55.15 -30.51 59.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 51.310000000000002 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 108' ' ' PHE . 9.8 t -76.89 -28.73 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 71.230000000000004 109.338 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.95 -37.39 84.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 73.349999999999994 110.31 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -75.16 -57.04 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 64.329999999999998 109.334 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.767 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.2 tp -52.76 -27.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 73.030000000000001 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 6.6 mmm180 -72.33 -32.89 66.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 74.040000000000006 110.259 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.81 -4.51 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 75.540000000000006 110.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 60.3 mt-30 -112.06 -17.81 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.230000000000004 110.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.805 ' CG ' HD13 ' A' ' 53' ' ' LEU . 88.2 m-70 -160.6 68.37 2.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 74.540000000000006 109.535 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.2 Cg_endo -75.07 -26.38 10.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 74.040000000000006 110.967 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.1 p -86.52 12.15 11.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 72.209999999999994 110.503 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 5.3 mmtp -126.03 164.37 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 74.25 109.343 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.823 HG23 ' CD2' ' A' ' 99' ' ' TYR . 34.2 mm -110.62 115.23 54.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 63.340000000000003 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.677 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 138.45 23.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 60.009999999999998 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.84 159.2 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 41.310000000000002 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.602 HG23 HG22 ' A' ' 50' ' ' THR . 2.4 mm -132.91 95.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 63.119999999999997 109.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 50' ' ' THR . 8.0 mt -86.93 133.59 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 64.400000000000006 109.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -134.21 158.73 42.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 73.349999999999994 110.345 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -69.21 137.47 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 73.239999999999995 110.36 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.9 t80 -63.45 148.68 47.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 54.109999999999999 111.038 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 9.6 ptpt -62.38 96.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 73.549999999999997 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.2 24.53 7.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 74.450000000000003 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -84.9 116.05 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 62.140000000000001 110.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.91 -39.65 3.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 64.400000000000006 109.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.402 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 45.4 mm-40 -52.18 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 65.430000000000007 110.314 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.746 HD11 ' HA ' ' A' ' 79' ' ' PHE . 12.3 mt -54.62 139.54 59.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.95 165.54 31.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 72.019999999999996 110.968 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' LEU . 46.9 t -71.26 114.54 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 71.25 109.31 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.915 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -39.88 145.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 70.209999999999994 109.33 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.497 ' H ' HD13 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -57.39 -43.89 84.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 65.120000000000005 109.359 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 177.23 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 64.030000000000001 109.372 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.602 HG22 HG23 ' A' ' 34' ' ' ILE . 37.9 m -113.53 -18.94 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 64.230000000000004 110.396 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.546 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 11.9 mtmm -105.94 133.33 50.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 74.5 109.298 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' HA ' HG22 ' B' ' 339' ' ' THR . 5.8 m-85 -140.04 138.05 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 64.540000000000006 111.002 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.805 HD13 ' CG ' ' A' ' 27' ' ' HIS . 20.0 mt -106.14 103.16 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 70.040000000000006 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.2 p -95.48 143.85 26.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 54.109999999999999 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.97 130.32 13.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 72.209999999999994 110.942 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -79.55 53.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 73.209999999999994 109.249 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.76 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -154.13 22.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 109.634 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.76 HG13 ' ND1' ' A' ' 57' ' ' HIS . 27.5 m -137.39 -168.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 63.399999999999999 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -109.23 161.35 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 54.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.75 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.7 ppp? -58.17 -29.78 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 72.030000000000001 111.081 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.943 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.3 t -66.3 -42.51 88.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 60.520000000000003 110.032 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' B' ' 343' ' ' SER . 4.3 mt-10 -53.14 -32.61 48.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 65.319999999999993 110.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 95' ' ' ILE . 1.5 tp -64.95 -29.86 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 75.349999999999994 109.319 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.982 HG23 ' CE2' ' A' ' 79' ' ' PHE . 7.4 mt -74.36 -48.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 62.299999999999997 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 22.3 mtmt -50.59 -25.6 4.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 65.209999999999994 109.314 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' B' ' 346' ' ' VAL . 44.3 mt -90.11 -55.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 63.229999999999997 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.741 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 6.9 mm -42.11 -46.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 74.109999999999999 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 65' ' ' LYS . 28.8 ptt180 -60.49 -43.02 97.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.39 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' ILE . 5.8 mmm180 -59.24 -25.76 64.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 73.230000000000004 110.258 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -43.72 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 71.150000000000006 110.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.915 HD21 HD22 ' A' ' 47' ' ' LEU . 93.5 mt -67.04 -10.98 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 13.1 pt20 45.84 46.24 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.328 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.747 HD13 ' OE1' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -85.3 -172.4 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 60.030000000000001 109.384 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -116.85 -174.94 2.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 74.200000000000003 109.357 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.08 71.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.097 . . . . 44.43 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -68.62 -39.74 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 109.309 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.747 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 tm0? -60.65 143.66 53.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 75.299999999999997 110.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.563 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -120.45 131.69 54.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 109.298 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.982 ' CE2' HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -131.53 119.82 22.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.566 1.167 . . . . 75.540000000000006 111.044 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -118.27 113.98 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 53.43 110.979 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -90.19 109.44 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.099999999999994 109.284 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.664 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -87.97 114.46 24.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.328 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.619 HG12 ' CE1' ' A' ' 86' ' ' HIS . 2.5 t -83.33 109.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.212 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.3 m-20 71.24 6.1 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.67 3.36 30.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 61.149999999999999 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.619 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.7 p80 -123.43 129.89 51.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 74.019999999999996 109.583 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.553 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -57.51 172.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 72.540000000000006 110.032 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.652 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -118.15 38.32 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.996 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.6 p -60.91 -13.91 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 72.209999999999994 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' SER . 77.8 p -117.13 28.91 8.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 43.149999999999999 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.75 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.4 OUTLIER -46.31 95.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 73.430000000000007 109.348 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.1 m -133.09 22.78 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.420000000000002 110.031 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.574 HG23 ' HD2' ' A' ' 94' ' ' PRO . 22.4 m -141.85 144.27 31.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 72.010000000000005 110.353 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.574 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.98 142.26 27.7 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.436 1.756 . . . . 74.200000000000003 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -46.08 -30.63 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.329 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.8 p -58.32 -45.23 88.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 73.109999999999999 109.988 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 20.0 mt-10 -81.62 -49.05 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 110.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 3.4 t -48.39 -25.83 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 73.030000000000001 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.823 ' CD2' HG23 ' A' ' 31' ' ' ILE . 8.6 t80 -80.18 -50.79 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.420000000000002 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -77.34 -3.61 40.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 110.287 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 m -110.59 3.62 19.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 63.149999999999999 110.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 6.6 mm-40 -137.38 -54.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 75.099999999999994 110.32 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 2.2 ppt_? -34.67 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 73.510000000000005 110.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.5 -175.14 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 52.109999999999999 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -46.69 -39.12 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 74.25 110.319 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.72 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -51.38 -50.44 59.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 72.310000000000002 109.284 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.03 17.33 20.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 33.439999999999998 111.035 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.764 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -119.02 135.14 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 73.310000000000002 110.99 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.752 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.55 140.31 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 71.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.14 108.71 11.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 75.439999999999998 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.71 136.42 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 64.010000000000005 111.02 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -107.43 130.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.569 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.7 p90 -105.13 160.96 14.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.08 168.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 24.0 109.356 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 t -89.2 21.65 3.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 63.340000000000003 110.083 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -145.79 119.15 8.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 70.450000000000003 110.278 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 7.3 tt0 -106.34 -7.17 17.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 54.409999999999997 110.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 61.450000000000003 110.413 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 337' ' ' ASP . . . . . 0.589 ' CG ' ' HE2' ' A' ' 27' ' ' HIS . 7.9 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.318 -0.623 . . . . 74.409999999999997 109.318 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.767 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.1 m0 -87.28 -153.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.978 -1.119 . . . . 73.140000000000001 107.978 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -95.02 159.45 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 75.25 110.389 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.28 128.86 55.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 75.310000000000002 109.653 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 341' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.22 123.04 42.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 109.335 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.13 139.07 51.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 62.219999999999999 110.016 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.467 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -99.07 23.93 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 53.030000000000001 110.012 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -112.06 -32.0 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 71.409999999999997 109.326 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.3 -10.75 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 61.520000000000003 110.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 66' ' ' ILE . 17.6 m -65.28 175.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 64.450000000000003 109.323 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.2 t80 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.561 0.219 . . . . 71.109999999999999 110.997 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -67.01 -60.55 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 72.439999999999998 110.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.36 -19.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.040000000000006 110.281 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.793 HH21 ' HB2' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -85.52 -47.74 9.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 73.109999999999999 110.338 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.995 HG22 ' HA ' ' A' ' 106' ' ' ASP . 74.7 t -52.32 -38.47 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 72.239999999999995 109.306 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 30.0 tt0 -67.35 -45.93 74.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.549999999999997 110.247 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.56 -39.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 51.310000000000002 109.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -71.66 -46.7 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.399 1.062 . . . . 71.230000000000004 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 9.6 ttt85 -42.64 -27.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 73.349999999999994 110.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -70.63 -55.01 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 64.329999999999998 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.812 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -64.67 -18.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 73.030000000000001 109.27 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -78.33 -32.87 49.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.040000000000006 110.33 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.01 -9.72 23.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 75.540000000000006 110.281 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 110.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ILE . 65.7 m-70 -126.76 73.02 75.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.540000000000006 109.572 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.65 12.69 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 74.040000000000006 111.016 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -84.96 10.95 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 110.394 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.2 mmtt -125.31 159.54 31.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 74.25 109.325 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.681 HG23 ' CD2' ' A' ' 99' ' ' TYR . 18.4 mm -110.14 122.94 37.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 63.340000000000003 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.07 138.99 23.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 60.009999999999998 110.971 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.69 161.92 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.188 . . . . 41.310000000000002 109.211 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.711 HG23 HG22 ' A' ' 50' ' ' THR . 3.1 mm -139.71 95.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 63.119999999999997 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 1.09 HD13 HD11 ' A' ' 67' ' ' ILE . 6.5 mt -88.11 132.8 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 64.400000000000006 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -134.1 170.79 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.349999999999994 110.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.82 138.21 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 73.239999999999995 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.86 138.33 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 54.109999999999999 111.035 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 18.3 mtmm -57.28 95.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 73.549999999999997 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.76 20.31 7.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 74.450000000000003 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 9.2 tp10 -111.31 105.11 13.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 62.140000000000001 110.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -30.06 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 64.400000000000006 109.276 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -41.53 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 65.430000000000007 110.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 115' ' ' SER . 5.3 mt -54.84 150.47 18.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.244 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.98 167.55 26.81 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.428 1.751 . . . . 72.019999999999996 111.043 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.2 t -83.97 121.0 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 71.25 109.307 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.675 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.25 147.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 70.209999999999994 109.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.675 ' H ' HD13 ' A' ' 47' ' ' LEU . 31.6 t0 -50.19 -45.9 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 65.120000000000005 109.361 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.01 -174.13 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.607 1.192 . . . . 64.030000000000001 109.29 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.711 HG22 HG23 ' A' ' 34' ' ' ILE . 41.1 m -115.1 -32.96 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.619 1.199 . . . . 64.230000000000004 110.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 3.0 mtmm -91.83 132.41 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 74.5 109.286 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.733 ' HB3' HD11 ' B' ' 341' ' ' LEU . 46.3 m-85 -140.23 136.38 33.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 64.540000000000006 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.51 HD21 ' CE3' ' B' ' 338' ' ' TRP . 9.3 mt -103.17 102.99 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 70.040000000000006 109.306 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.743 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.9 p -94.21 143.79 26.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 54.109999999999999 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.86 126.04 9.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.472 1.775 . . . . 72.209999999999994 111.038 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -82.17 51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 73.209999999999994 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 7.2 p-80 -148.0 19.81 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 74.420000000000002 109.616 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.5 -161.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 63.399999999999999 109.262 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -116.57 149.91 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 54.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.469 ' C ' ' SD ' ' A' ' 60' ' ' MET . 1.1 ppp? -47.29 -26.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 72.030000000000001 110.999 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -55.53 -41.61 73.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 60.520000000000003 110.06 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' LEU . 9.2 mm-40 -56.16 -55.67 30.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 65.319999999999993 110.299 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.944 HD12 HD11 ' A' ' 95' ' ' ILE . 1.9 tt -38.43 -41.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 75.349999999999994 109.336 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 14.7 mm -58.25 -59.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 62.299999999999997 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 44.0 mtpt -52.3 -21.65 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 65.209999999999994 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.946 HG21 ' HB3' ' B' ' 341' ' ' LEU . 12.2 mm -82.49 -35.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 1.09 HD11 HD13 ' A' ' 35' ' ' ILE . 16.9 mm -68.76 -69.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.109999999999999 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -40.62 -28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 75.109999999999999 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmt180 -67.06 -45.56 77.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.230000000000004 110.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' ILE . 12.9 mmm180 -60.33 -50.35 73.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 71.150000000000006 110.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 3.5 mt -62.0 -24.11 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 72.230000000000004 109.262 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.8 pt20 46.18 41.7 9.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 73.519999999999996 110.269 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.591 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -73.69 -166.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 60.030000000000001 109.34 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.38 -175.12 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 74.200000000000003 109.308 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.44 -15.18 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 44.43 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -83.58 -20.14 34.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 74.340000000000003 109.256 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 73' ' ' LEU . 48.0 tp60 -91.35 134.98 34.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.299999999999997 110.341 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.74 129.5 49.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 75.299999999999997 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.681 ' CE1' HG21 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -130.77 135.2 47.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.540000000000006 110.946 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.531 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.52 125.95 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 53.43 110.995 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.498 HD22 HG13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -92.64 120.59 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 70.099999999999994 109.318 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 81' ' ' LEU . 3.2 mm? -96.69 106.09 18.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 109.395 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.656 HG12 ' CE1' ' A' ' 86' ' ' HIS . 9.4 t -73.75 107.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 75.329999999999998 109.26 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.92 8.88 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 109.25 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.32 6.22 36.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 61.149999999999999 111.01 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.656 ' CE1' HG12 ' A' ' 83' ' ' VAL . 20.7 p80 -126.01 139.15 53.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 74.019999999999996 109.645 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 p -57.55 167.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 72.540000000000006 110.005 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -123.94 18.18 9.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 111.013 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.455 ' CG1' ' OE1' ' A' ' 117' ' ' GLU . 3.1 m -47.24 -25.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 72.209999999999994 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' VAL . 91.7 p -102.81 39.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 43.149999999999999 109.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.645 HG22 ' N ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -39.3 -83.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.353 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.645 ' N ' HG22 ' A' ' 91' ' ' VAL . 2.0 t 38.41 29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.420000000000002 110.028 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' VAL . 53.6 m -152.33 139.91 12.97 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 72.010000000000005 110.444 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 18.5 Cg_endo -74.96 137.01 21.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 74.200000000000003 111.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.944 HD11 HD12 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -44.53 -32.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 74.510000000000005 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.0 p -57.64 -44.96 85.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 73.109999999999999 110.041 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' PRO . 37.4 mt-10 -77.33 -50.69 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 110.266 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.19 -35.32 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.030000000000001 109.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.769 ' CD2' HD23 ' A' ' 109' ' ' LEU . 2.1 t80 -78.72 -38.81 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 111.011 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.239999999999995 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -118.44 5.5 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.149999999999999 110.024 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 103' ' ' ARG . 32.5 mm-40 -133.46 -52.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.099999999999994 110.326 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -34.59 146.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 73.510000000000005 110.303 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 -175.04 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 52.109999999999999 109.255 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -46.89 -43.87 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 74.25 110.221 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.995 ' HA ' HG22 ' A' ' 17' ' ' VAL . 17.9 p-10 -54.54 -47.06 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 72.310000000000002 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.53 9.33 29.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 33.439999999999998 111.019 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.661 ' CD2' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -99.87 145.57 27.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 0.825 . . . . 73.310000000000002 111.02 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.769 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -95.42 134.1 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 71.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -114.16 112.32 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.439999999999998 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.535 ' HE2' ' HB3' ' A' ' 109' ' ' LEU . 3.1 mtt -133.33 131.18 39.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 64.010000000000005 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.3 t -103.32 128.94 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 73.329999999999998 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -108.8 150.72 27.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 73.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -170.74 178.14 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.378 1.049 . . . . 24.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.526 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.9 t -90.92 32.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 63.340000000000003 110.02 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -149.58 132.52 16.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 70.450000000000003 110.312 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.531 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 4.6 tt0 -119.18 -6.64 10.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 54.409999999999997 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 61.450000000000003 110.406 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.349 -0.612 . . . . 74.409999999999997 109.349 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.812 ' NE1' HD13 ' A' ' 23' ' ' ILE . 3.2 m0 -74.23 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 73.140000000000001 108.05 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.499 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -93.62 162.89 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 75.25 110.45 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 340' ' ' HIS . . . . . 0.448 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -112.01 129.78 56.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 75.310000000000002 109.614 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.946 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.9 mt -102.81 109.1 20.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 73.230000000000004 109.318 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -111.16 132.17 54.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 62.219999999999999 109.986 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.485 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.2 t -92.87 15.58 14.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 53.030000000000001 110.019 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.469 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -101.44 -26.45 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 71.409999999999997 109.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.96 -1.36 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 61.520000000000003 110.264 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.708 ' CG1' HD13 ' A' ' 66' ' ' ILE . 17.8 m -71.01 -175.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 109.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 64.450000000000003 109.365 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.048 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.492 0.187 . . . . 71.109999999999999 111.048 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' VAL . 89.8 mt-10 -52.18 -20.15 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 110.249 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -84.9 -30.34 24.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 75.040000000000006 110.269 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -90.68 -18.33 25.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 110.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.048 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.3 m -82.26 -39.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 72.239999999999995 109.319 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -64.31 -24.4 67.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 74.549999999999997 110.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -64.27 -61.38 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 51.310000000000002 109.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -50.54 -44.88 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 71.230000000000004 109.276 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 42.1 ttt180 -43.36 -33.7 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 73.349999999999994 110.255 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 22' ' ' LEU . 2.3 mt -64.69 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 64.329999999999998 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.881 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -56.32 -22.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.578 1.173 . . . . 73.030000000000001 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -29.37 63.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 74.040000000000006 110.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -100.66 -18.66 16.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 75.540000000000006 110.184 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -98.3 -54.92 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 74.230000000000004 110.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' CG ' HD13 ' A' ' 53' ' ' LEU . 11.8 m-70 -117.37 79.94 12.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.540000000000006 109.61 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.5 7.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 74.040000000000006 110.992 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.4 p -89.74 28.59 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.209999999999994 110.443 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -136.35 151.83 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.25 109.266 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.558 HG13 HG23 ' A' ' 95' ' ' ILE . 46.2 mm -99.24 111.9 62.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 63.340000000000003 109.338 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 133.96 17.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 60.009999999999998 111.025 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 1.1 m -141.48 156.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 41.310000000000002 109.295 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -132.6 99.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 63.119999999999997 109.352 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.997 HD11 HD11 ' A' ' 63' ' ' LEU . 13.5 mt -92.82 128.5 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.633 ' OE1' HG23 ' A' ' 50' ' ' THR . 15.9 mm-40 -126.19 171.57 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 110.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -80.53 136.33 36.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 110.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.495 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 12.2 t80 -65.3 145.06 56.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 54.109999999999999 110.964 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 mtmp? -69.25 96.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.549999999999997 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.92 7.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.57 1.169 . . . . 74.450000000000003 110.994 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.9 tm-20 -109.33 106.51 16.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 62.140000000000001 110.303 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -35.77 4.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 64.400000000000006 109.309 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -39.05 -73.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 65.430000000000007 110.368 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 115' ' ' SER . 2.7 mt -60.08 149.48 74.39 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.52 1.137 . . . . 74.319999999999993 109.25 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.95 167.29 27.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 72.019999999999996 111.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.94 136.62 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 71.25 109.266 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -61.91 152.33 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 70.209999999999994 109.242 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 1.1 t0 -67.51 -37.39 82.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 65.120000000000005 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -127.43 -170.03 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 64.030000000000001 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.633 HG23 ' OE1' ' A' ' 36' ' ' GLU . 73.4 m -122.49 -38.79 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 64.230000000000004 110.345 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.583 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -106.34 150.12 26.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.5 109.22 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.768 ' HA ' HG22 ' B' ' 339' ' ' THR . 10.8 m-85 -140.0 145.41 37.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.1 . . . . 64.540000000000006 110.948 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.881 HD21 HG12 ' A' ' 23' ' ' ILE . 31.0 mt -102.81 104.23 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 70.040000000000006 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.907 HG11 HD13 ' A' ' 95' ' ' ILE . 2.2 t -90.77 142.32 27.63 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 54.109999999999999 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.617 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -74.97 127.11 10.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 72.209999999999994 110.99 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 12.5 p-10 -75.83 59.32 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.209999999999994 109.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' ND1' HG13 ' A' ' 58' ' ' VAL . 10.4 p80 -165.36 30.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 74.420000000000002 109.58 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.433 HG13 ' ND1' ' A' ' 57' ' ' HIS . 18.0 m -147.35 -162.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 63.399999999999999 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -114.09 164.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 54.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.759 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.1 ppp? -57.98 -29.12 64.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 111.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.914 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 60.520000000000003 110.047 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 46.9 mm-40 -43.09 -54.42 4.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 65.319999999999993 110.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.997 HD11 HD11 ' A' ' 35' ' ' ILE . 4.3 tp -39.94 -43.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.41 1.069 . . . . 75.349999999999994 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 61' ' ' SER . 3.6 mt -68.34 -46.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 62.299999999999997 109.322 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLU . 27.1 mtpp -51.76 -24.62 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 65.209999999999994 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.758 HG21 HD22 ' B' ' 341' ' ' LEU . 1.8 mm -89.51 -39.85 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 63.229999999999997 109.262 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.948 HD11 HD13 ' A' ' 35' ' ' ILE . 16.7 mm -58.89 -66.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.109999999999999 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HE ' HG22 ' A' ' 64' ' ' ILE . 14.9 ptp180 -47.53 -28.22 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 110.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -36.35 67.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 110.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.466 ' NE ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -71.5 -42.41 68.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 71.150000000000006 110.333 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 64.6 mt -73.35 -5.18 38.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 72.230000000000004 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 23.8 pt20 45.64 41.04 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.519999999999996 110.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 77' ' ' GLN . 28.1 mt -71.89 172.85 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 60.030000000000001 109.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.512 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 15.5 m-20 -122.1 -176.07 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.200000000000003 109.294 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.53 -12.64 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 44.43 109.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.512 ' ND2' ' HB2' ' A' ' 74' ' ' ASN . 12.6 p30 -86.74 -27.69 23.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.906 ' HG2' HD22 ' A' ' 73' ' ' LEU . 52.4 tp60 -87.63 142.32 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 75.299999999999997 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.482 ' O ' HD21 ' A' ' 44' ' ' LEU . . . -110.3 146.87 34.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 75.299999999999997 109.312 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -156.88 145.01 19.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 110.996 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 63.9 m-85 -143.31 122.7 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 53.43 111.032 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 109.53 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 70.099999999999994 109.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 87' ' ' SER . 3.5 mm? -88.48 108.14 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.120000000000005 109.29 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.855 HG22 ' SD ' ' A' ' 111' ' ' MET . 12.1 t -77.93 111.08 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 75.329999999999998 109.265 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 66.96 10.65 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.329999999999998 109.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.63 40.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 61.149999999999999 111.035 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.659 ' CE1' HG12 ' A' ' 83' ' ' VAL . 8.7 p80 -129.05 137.42 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 74.019999999999996 109.543 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.678 ' HB2' HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -57.96 170.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 72.540000000000006 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.411 ' HB3' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -115.69 20.71 14.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.962 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 87' ' ' SER . 3.6 m -42.2 128.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 72.209999999999994 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' SER . 8.0 m 73.36 38.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 43.149999999999999 110.022 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.562 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.51 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.266 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.6 m -120.31 11.86 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 109.977 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.732 HG22 HG23 ' A' ' 98' ' ' VAL . 86.8 m -127.85 128.62 23.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.010000000000005 110.397 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 18.2 Cg_endo -75.06 143.82 29.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 74.200000000000003 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.907 HD13 HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -45.0 -27.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.323 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.9 t -63.75 -44.87 92.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 109.973 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 30.0 mm-40 -82.52 -49.91 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.430000000000007 110.328 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.732 HG23 HG22 ' A' ' 93' ' ' THR . 24.2 t -48.29 -25.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.030000000000001 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.633 ' HA ' HD21 ' A' ' 109' ' ' LEU . 46.9 t80 -79.6 -49.84 11.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 73.420000000000002 111.009 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -78.93 -3.31 44.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.07 . . . . 74.239999999999995 110.306 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.9 m -112.79 4.82 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 63.149999999999999 110.035 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 7.5 mm-40 -138.07 -52.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 75.099999999999994 110.365 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 7.4 ppt_? -34.77 151.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 73.510000000000005 110.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER -116.91 -174.51 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 52.109999999999999 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' ASP . 22.5 mt-10 -37.0 -56.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 74.25 110.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.995 ' HB3' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -44.92 -48.64 11.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 72.310000000000002 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 103.2 -0.32 47.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 33.439999999999998 111.035 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.777 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -96.84 135.38 38.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 0.8 . . . . 73.310000000000002 110.92 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.33 136.1 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.0 109.222 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -121.29 113.99 20.71 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.986 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.855 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.6 mtt -136.65 142.45 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 64.010000000000005 111.008 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 7.1 t -110.44 141.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 73.329999999999998 109.357 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.438 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 4.5 p90 -118.98 152.71 35.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -173.0 178.34 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 24.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.68 30.5 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 63.340000000000003 109.919 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -150.01 130.23 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 70.450000000000003 110.292 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 3.1 tt0 -111.94 -12.14 13.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 54.409999999999997 110.261 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 117' ' ' GLU . 34.9 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 61.450000000000003 110.414 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.245 -0.65 . . . . 74.409999999999997 109.245 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.849 ' CE2' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -94.92 -154.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 108.009 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.768 HG22 ' HA ' ' A' ' 52' ' ' PHE . 14.6 t -89.86 147.17 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 75.25 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.5 114.99 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.310000000000002 109.548 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 0.758 HD22 HG21 ' A' ' 66' ' ' ILE . 6.4 mt -78.17 112.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 73.230000000000004 109.354 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 343' ' ' SER . 0.8 OUTLIER -70.48 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 62.219999999999999 109.994 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.699 ' O ' HG22 ' B' ' 346' ' ' VAL . 1.1 m 86.82 -9.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 53.030000000000001 109.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -28.04 15.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 71.409999999999997 109.325 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.53 -6.77 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 61.520000000000003 110.321 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.699 HG22 ' O ' ' B' ' 343' ' ' SER . 22.8 m -64.94 175.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 73.120000000000005 109.25 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 64.450000000000003 109.304 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.1 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.494 0.187 . . . . 71.109999999999999 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -38.87 1.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 110.328 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -74.99 -40.54 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 110.298 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' PHE . 26.5 mtp85 -64.85 -27.02 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 73.109999999999999 110.362 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.879 HG22 ' HA ' ' A' ' 106' ' ' ASP . 90.1 t -76.53 -32.88 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.239999999999995 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.63 -35.74 45.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 110.272 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 51.310000000000002 109.235 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -56.76 -40.89 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 71.230000000000004 109.305 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -40.23 -35.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 73.349999999999994 110.243 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -50.78 63.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 64.329999999999998 109.32 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.854 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -65.6 -24.18 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 73.030000000000001 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -32.77 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.040000000000006 110.281 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.53 -19.56 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 75.540000000000006 110.235 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -90.94 -58.8 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 74.230000000000004 110.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -119.91 79.1 24.34 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 74.540000000000006 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.23 6.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 74.040000000000006 110.98 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.99 30.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.209999999999994 110.347 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 8.6 mmtp -136.03 149.77 48.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 74.25 109.354 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 20.4 mm -98.34 112.76 62.99 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 63.340000000000003 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.04 139.19 23.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 60.009999999999998 110.993 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG22 ' HB2' ' A' ' 52' ' ' PHE . 2.7 m -146.29 161.49 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 41.310000000000002 109.331 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.455 ' CG2' ' OE1' ' A' ' 36' ' ' GLU . 2.8 mm -129.79 101.81 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 63.119999999999997 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.572 HG22 ' HD2' ' A' ' 113' ' ' TYR . 2.5 mm -86.27 118.95 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 64.400000000000006 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' OE1' ' CG2' ' A' ' 34' ' ' ILE . 34.4 mt-10 -125.76 154.66 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.349999999999994 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -71.68 137.94 48.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 73.239999999999995 110.366 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.791 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.2 t80 -62.37 145.18 54.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 54.109999999999999 110.984 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -59.19 98.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.549999999999997 109.327 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.84 13.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' OE1' ' HB1' ' A' ' 114' ' ' ALA . 8.8 tp10 -86.32 104.84 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 62.140000000000001 110.353 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -28.85 7.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 64.400000000000006 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -62.21 -74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 65.430000000000007 110.348 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 115' ' ' SER . 2.5 mm? -54.56 150.96 15.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.96 179.52 5.99 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.527 1.803 . . . . 72.019999999999996 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.6 19.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 71.25 109.288 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.621 HD23 HD21 ' A' ' 71' ' ' LEU . 0.2 OUTLIER 59.03 155.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 70.209999999999994 109.256 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.566 ' H ' HD13 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -75.37 -7.83 55.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 65.120000000000005 109.234 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 159.87 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 64.030000000000001 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 35' ' ' ILE . 3.1 m -105.73 -26.67 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 64.230000000000004 110.359 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 11.0 mtmm -93.27 138.2 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.5 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.822 ' HA ' HG22 ' B' ' 339' ' ' THR . 14.2 m-85 -139.88 148.1 41.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 64.540000000000006 111.066 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.683 HD21 HG12 ' A' ' 23' ' ' ILE . 26.4 mt -119.04 104.38 10.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 70.040000000000006 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 95' ' ' ILE . 2.3 t -91.98 141.99 25.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 54.109999999999999 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.592 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.03 136.27 20.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 72.209999999999994 110.974 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 4.2 p-10 -83.98 49.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 73.209999999999994 109.352 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.8 p80 -155.85 27.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 74.420000000000002 109.592 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 m -143.0 -160.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 63.399999999999999 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER -121.93 158.54 28.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 54.0 109.208 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.616 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.5 ppp? -54.45 -21.86 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 72.030000000000001 111.022 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.672 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -62.56 -29.92 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 60.520000000000003 110.038 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.27 -61.06 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 65.319999999999993 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 67' ' ' ILE . 3.2 tp -44.17 -28.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.349999999999994 109.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 1.8 mm -73.65 -54.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 62.299999999999997 109.293 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 42.3 mttt -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 65.209999999999994 109.311 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 1.03 HG21 HD13 ' B' ' 341' ' ' LEU . 2.7 mm -77.8 -60.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 63.229999999999997 109.318 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.676 HG12 HD12 ' A' ' 63' ' ' LEU . 16.0 mm -43.4 -61.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.109999999999999 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 22.9 ptt180 -50.42 -40.49 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 75.109999999999999 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.69 HH21 ' HB2' ' B' ' 347' ' ' ASP . 3.9 mmt180 -66.58 -31.41 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -34.28 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 71.150000000000006 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.626 HD22 ' HD2' ' A' ' 45' ' ' PRO . 2.7 mt -81.8 -19.38 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 72.230000000000004 109.356 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' CG ' ' C ' ' A' ' 71' ' ' LEU . 7.9 pt20 40.21 44.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 110.271 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.626 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -76.49 176.72 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 60.030000000000001 109.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -112.0 166.78 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 74.200000000000003 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.02 -43.67 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 44.43 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -50.66 -36.14 34.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.626 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.1 tp60 -89.13 138.19 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 75.299999999999997 110.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.59 138.86 45.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 75.299999999999997 109.265 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 2.1 t80 -130.97 127.63 38.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 111.068 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.3 m-85 -134.13 116.29 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 53.43 110.963 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.628 ' C ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -90.49 123.26 34.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 70.099999999999994 109.239 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.711 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.51 116.12 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.120000000000005 109.275 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.616 HG21 ' CE ' ' A' ' 60' ' ' MET . 2.5 t -84.78 109.56 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.329999999999998 109.308 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.57 10.41 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.329999999999998 109.345 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.85 4.79 45.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.147 . . . . 61.149999999999999 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.5 p80 -127.02 131.07 51.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 74.019999999999996 109.64 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.501 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.53 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 72.540000000000006 109.991 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -113.62 41.64 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 73.310000000000002 111.01 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.643 HG12 ' OE2' ' A' ' 117' ' ' GLU . 3.1 m -38.38 -31.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 72.209999999999994 109.282 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.8 m -123.74 102.62 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 43.149999999999999 110.058 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.672 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -108.01 88.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.430000000000007 109.278 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -127.08 18.51 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 110.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.638 HG22 HG23 ' A' ' 98' ' ' VAL . 15.5 m -128.02 145.14 54.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.010000000000005 110.467 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.0 138.47 23.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 74.200000000000003 110.978 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.713 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -47.06 -25.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 74.510000000000005 109.336 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.477 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 79.1 p -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 73.109999999999999 110.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' PRO . 36.9 mt-10 -80.88 -54.6 5.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 110.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.638 HG23 HG22 ' A' ' 93' ' ' THR . 7.4 t -43.37 -31.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 73.030000000000001 109.312 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HA ' HD11 ' A' ' 109' ' ' LEU . 1.3 t80 -81.09 -45.42 16.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.32 -4.36 29.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 74.239999999999995 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -112.89 -6.99 13.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 63.149999999999999 109.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ARG . 14.2 mm-40 -124.79 -57.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.099999999999994 110.304 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -36.77 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 73.510000000000005 110.264 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 1.1 m-20 -102.58 -178.86 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 52.109999999999999 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.41 -42.55 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.25 110.308 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.879 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -44.75 -45.96 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 72.310000000000002 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.67 13.65 29.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 33.439999999999998 111.024 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.787 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -115.35 130.93 57.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 73.310000000000002 110.972 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 109' ' ' LEU . 2.5 mt -83.37 141.35 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 71.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.12 112.49 20.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 75.439999999999998 111.023 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.555 ' SD ' HD21 ' A' ' 63' ' ' LEU . 19.6 mtt -124.31 152.84 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.010000000000005 110.955 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.6 t -129.05 127.08 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.378 1.049 . . . . 73.329999999999998 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.572 ' HD2' HG22 ' A' ' 35' ' ' ILE . 18.2 p90 -115.67 154.65 29.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 73.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.791 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -169.03 179.75 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 24.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.463 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -87.15 23.56 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 63.340000000000003 109.997 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -148.59 149.71 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 70.450000000000003 110.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.643 ' OE2' HG12 ' A' ' 89' ' ' VAL . 4.9 tt0 -123.86 -1.43 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 54.409999999999997 110.231 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 61.450000000000003 110.415 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.329 -0.619 . . . . 74.409999999999997 109.329 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 338' ' ' TRP . . . . . 0.854 ' NE1' HD13 ' A' ' 23' ' ' ILE . 5.8 m0 -62.93 -153.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 73.140000000000001 108.043 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 339' ' ' THR . . . . . 0.822 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -85.83 -171.14 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.25 110.377 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 340' ' ' HIS . . . . . 0.65 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -137.95 115.87 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 75.310000000000002 109.615 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 341' ' ' LEU . . . . . 1.03 HD13 HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -89.58 97.14 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 73.230000000000004 109.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 342' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -97.85 121.37 39.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 62.219999999999999 110.014 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 343' ' ' SER . . . . . 0.684 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.6 p -78.01 -1.07 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 53.030000000000001 110.021 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 344' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -92.13 -27.22 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 71.409999999999997 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.64 -1.89 44.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 61.520000000000003 110.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 346' ' ' VAL . . . . . 0.684 HG22 ' O ' ' B' ' 343' ' ' SER . 3.6 m -81.5 178.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 73.120000000000005 109.299 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 347' ' ' ASP . . . . . 0.69 ' HB2' HH21 ' A' ' 69' ' ' ARG . 20.3 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 64.450000000000003 109.36 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.013 -0.366 . . . . 54.43 110.013 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mmm -39.04 99.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 74.030000000000001 110.967 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.84 36.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 72.219999999999999 110.986 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -119.03 -58.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 60.340000000000003 109.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -81.02 148.58 29.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 71.450000000000003 110.291 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -64.84 167.83 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 65.129999999999995 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.576 HG23 ' HG2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -109.61 151.12 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 52.200000000000003 110.359 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CZ ' ' HG3' ' A' ' 36' ' ' GLU . 7.0 m-85 -48.45 -22.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.299999999999997 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.576 ' HG2' HG23 ' A' ' 6' ' ' THR . 1.5 ptpt -81.4 -36.02 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.335 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 5.9 mm100 -89.96 -64.06 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 60.229999999999997 110.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.1 tpt180 -38.5 -79.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 63.539999999999999 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.678 ' HB2' HH21 ' A' ' 16' ' ' ARG . 9.5 mpt_? -47.09 130.27 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 70.400000000000006 110.324 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 116.93 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 61.509999999999998 109.971 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 -37.98 -63.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 71.109999999999999 110.991 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -43.68 -43.41 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 72.439999999999998 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 15' ' ' GLN . 4.2 mp0 -69.57 -34.81 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 75.040000000000006 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.678 HH21 ' HB2' ' A' ' 11' ' ' ARG . 16.1 tpp180 -77.03 -17.39 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.109999999999999 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.819 HG22 ' HA ' ' A' ' 106' ' ' ASP . 71.3 t -87.82 -42.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 72.239999999999995 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -61.47 -48.79 79.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.549999999999997 110.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.32 -36.51 6.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 51.310000000000002 109.319 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.612 HG23 ' CD2' ' A' ' 108' ' ' PHE . 2.4 t -69.95 -44.54 78.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 71.230000000000004 109.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -38.71 -48.31 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 73.349999999999994 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -54.71 -55.93 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 64.329999999999998 109.319 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.661 HD11 HD11 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -60.1 -25.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 73.030000000000001 109.357 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -76.75 -34.25 58.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 74.040000000000006 110.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -96.73 -4.93 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 75.540000000000006 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 33.1 mt-30 -113.71 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 74.230000000000004 110.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 8.5 m-70 -117.49 80.54 13.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 74.540000000000006 109.619 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -31.42 6.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 74.040000000000006 111.015 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 p -90.09 29.62 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.35 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -134.7 145.64 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 74.25 109.287 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 99' ' ' TYR . 14.2 mm -99.64 117.75 63.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 63.340000000000003 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.512 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -75.0 138.78 23.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 60.009999999999998 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.61 153.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 41.310000000000002 109.274 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 108' ' ' PHE . 25.1 mm -122.11 98.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 63.119999999999997 109.262 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.893 HD13 HD11 ' A' ' 67' ' ' ILE . 20.3 mt -96.37 125.88 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 64.400000000000006 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.58 ' OE1' HG23 ' A' ' 50' ' ' THR . 9.0 mm-40 -142.69 162.03 36.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.349999999999994 110.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.71 141.28 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 73.239999999999995 110.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.85 139.08 56.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 54.109999999999999 110.992 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 8.2 mtmp? -55.26 94.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 73.549999999999997 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.06 19.85 7.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 74.450000000000003 111.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.694 ' CD ' ' HB1' ' A' ' 114' ' ' ALA . 8.7 tp10 -84.81 115.13 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 0.731 . . . . 62.140000000000001 110.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -113.73 -12.54 12.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 64.400000000000006 109.283 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -74.13 -86.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 65.430000000000007 110.275 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 79' ' ' PHE . 19.4 mt -54.77 143.91 48.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 74.319999999999993 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.03 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.813 . . . . 72.019999999999996 111.008 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 46' ' ' VAL . 3.1 p -73.63 115.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 71.25 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.619 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.36 150.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 70.209999999999994 109.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.533 ' H ' HD13 ' A' ' 47' ' ' LEU . 38.0 t0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 65.120000000000005 109.328 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -132.81 165.7 23.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 64.030000000000001 109.275 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.58 HG23 ' OE1' ' A' ' 36' ' ' GLU . 2.3 m -102.68 -33.71 9.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 64.230000000000004 110.392 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HB3' ' CE3' ' B' ' 338' ' ' TRP . 22.2 mtmm -96.05 137.71 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 74.5 109.296 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HB3' HD21 ' B' ' 341' ' ' LEU . 29.4 m-85 -139.05 130.28 26.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 64.540000000000006 110.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.661 HD11 HD11 ' A' ' 23' ' ' ILE . 3.5 mt -95.42 104.17 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 70.040000000000006 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.678 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -91.48 141.63 26.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 54.109999999999999 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.543 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.99 135.38 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 72.209999999999994 111.021 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 5.5 p-10 -87.11 46.01 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.858 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.17 21.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.625 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.858 HG13 ' ND1' ' A' ' 57' ' ' HIS . 35.0 m -137.15 -167.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -115.22 150.75 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 54.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.635 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.8 ppp? -44.73 -28.08 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 72.030000000000001 111.017 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.631 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -55.54 -50.8 69.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 60.520000000000003 109.993 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 11.1 mm-40 -43.65 -57.4 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 65.319999999999993 110.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 35' ' ' ILE . 8.6 tp -40.38 -38.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 75.349999999999994 109.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 64' ' ' ILE . 5.8 mm -63.05 -64.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 62.299999999999997 109.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.67 -22.86 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 65.209999999999994 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.87 ' CG2' HD13 ' B' ' 341' ' ' LEU . 2.7 mm -78.45 -47.04 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 63.229999999999997 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.893 HD11 HD13 ' A' ' 35' ' ' ILE . 14.6 mm -55.87 -55.37 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 74.109999999999999 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 14.0 mtp180 -40.58 -49.45 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 75.109999999999999 110.34 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' NH1' ' H ' ' B' ' 347' ' ' ASP . 8.7 mmp_? -53.5 -43.34 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 110.32 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -64.21 -53.35 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 71.150000000000006 110.32 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 47' ' ' LEU . 60.1 mt -66.72 -16.74 64.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 72.230000000000004 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' ARG . 24.8 pt20 38.57 56.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 73.519999999999996 110.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 mt -88.99 169.08 11.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 60.030000000000001 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -89.84 173.12 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 74.200000000000003 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.06 -8.19 53.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 44.43 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -92.31 -34.63 14.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 74.340000000000003 109.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.05 146.99 54.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.299999999999997 110.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -111.49 126.5 55.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.299999999999997 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.72 ' CE1' HG21 ' A' ' 67' ' ' ILE . 1.4 t80 -134.16 135.37 43.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 75.540000000000006 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 21.6 m-85 -143.23 117.08 9.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 53.43 110.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.604 HD12 HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -85.71 116.39 23.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 70.099999999999994 109.277 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.635 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -91.32 120.0 31.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.120000000000005 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.711 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.7 t -86.51 111.9 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 75.329999999999998 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.425 ' ND2' ' OE1' ' A' ' 102' ' ' GLU . 1.5 m-20 69.2 11.32 8.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.244 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.17 5.6 49.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 61.149999999999999 110.996 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 22.4 p80 -126.35 130.09 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 74.019999999999996 109.6 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.59 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.73 172.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 72.540000000000006 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.51 41.33 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.310000000000002 110.985 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -39.41 -30.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 72.209999999999994 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 m -120.59 103.21 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 43.149999999999999 110.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.635 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -107.48 89.65 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.266 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.2 m -127.25 16.42 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 74.420000000000002 109.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 98' ' ' VAL . 3.0 m -127.68 146.43 58.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 72.010000000000005 110.39 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.721 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.02 143.22 28.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 74.200000000000003 110.976 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.678 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -52.25 -21.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.510000000000005 109.321 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.4 p -70.63 -41.05 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.109999999999999 110.024 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 10.9 mm-40 -82.1 -52.32 7.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 93' ' ' THR . 3.2 t -45.98 -30.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 73.030000000000001 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' HB2' HG21 ' A' ' 31' ' ' ILE . 3.6 t80 -75.26 -56.44 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -71.79 -4.6 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.8 m -104.37 -3.43 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 63.149999999999999 109.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 14.8 mm-40 -134.32 -59.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 75.099999999999994 110.263 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 3.2 ppt_? -38.33 157.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 73.510000000000005 110.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -105.73 177.6 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 52.109999999999999 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -45.95 -33.47 3.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 74.25 110.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.819 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -45.87 -45.67 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 72.310000000000002 109.291 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.43 27.49 10.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 33.439999999999998 110.97 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -137.85 128.16 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 73.310000000000002 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 99' ' ' TYR . 4.5 mt -78.86 152.84 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 67.6 m-85 -134.92 107.44 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.439999999999998 110.986 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.711 ' SD ' HG22 ' A' ' 83' ' ' VAL . 7.5 mtt -124.85 143.01 51.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 64.010000000000005 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.6 t -115.54 123.19 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 73.329999999999998 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.528 ' CE2' HD23 ' A' ' 47' ' ' LEU . 13.4 p90 -103.21 152.44 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 73.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.694 ' HB1' ' CD ' ' A' ' 41' ' ' GLU . . . -171.48 177.3 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 24.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.0 t -91.58 29.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 63.340000000000003 109.99 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -149.87 120.67 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 70.450000000000003 110.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.508 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 5.4 tt0 -105.99 -6.4 18.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 54.409999999999997 110.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 46.9 p -132.52 52.8 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 61.450000000000003 110.411 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 120' ' ' GLY . 53.3 p90 -90.88 -27.33 18.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 111.026 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 75.540000000000006 111.015 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.499 0.19 . . . . 62.229999999999997 111.008 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 2.8 t -123.6 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 65.519999999999996 110.019 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -92.28 16.26 60.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 43.009999999999998 111.037 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.25 165.77 28.14 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.019 -0.832 . . . . 53.43 111.019 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.06 63.0 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 71.129999999999995 109.279 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.1 -46.98 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 109.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -153.46 126.56 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 74.409999999999997 109.306 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.755 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 6.7 m0 -69.64 -151.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 73.140000000000001 108.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.475 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 3.6 m -91.32 157.37 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.25 110.395 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 121.51 43.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.549 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.87 HD13 ' CG2' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -96.16 84.0 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 73.230000000000004 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -93.54 130.57 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 62.219999999999999 110.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.488 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.1 OUTLIER -88.81 9.75 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 53.030000000000001 109.999 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.06 -23.24 16.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 71.409999999999997 109.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.32 -0.66 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 343' ' ' SER . 4.4 m -77.43 167.96 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 73.120000000000005 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ASP . . . . . 0.425 ' H ' ' NH1' ' A' ' 69' ' ' ARG . 31.2 t70 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.450000000000003 109.322 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.009 -0.367 . . . . 54.43 110.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.6 OUTLIER -153.01 144.85 16.67 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 74.030000000000001 111.074 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.97 -34.25 4.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 72.219999999999999 110.98 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -123.92 141.21 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 60.340000000000003 109.938 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 8.9 tp10 -103.82 132.23 50.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 71.450000000000003 110.366 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' N ' ' CD ' ' A' ' 4' ' ' GLU . 74.8 mttt -52.07 176.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 65.129999999999995 109.307 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 39' ' ' LYS . 71.5 p -117.98 152.32 35.72 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.474 1.109 . . . . 52.200000000000003 110.407 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.589 ' CE1' ' OE2' ' A' ' 36' ' ' GLU . 18.3 m-85 -47.09 -23.57 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.299999999999997 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' CG ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -79.31 -39.11 33.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.4 mm100 -92.99 -66.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 60.229999999999997 110.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 6' ' ' THR . 22.0 tpt180 -40.35 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 63.539999999999999 110.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HG2' ' NE ' ' A' ' 16' ' ' ARG . 6.3 mpt_? -58.66 138.85 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 70.400000000000006 110.37 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 2.2 m -64.89 127.16 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 61.509999999999998 110.001 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.792 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.1 t80 -47.78 -58.61 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 71.109999999999999 111.045 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -52.51 -19.62 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 110.229 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 tt0 -75.79 -41.28 53.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 75.040000000000006 110.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' NE ' ' HG2' ' A' ' 11' ' ' ARG . 2.3 mpt_? -79.47 -49.47 12.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 73.109999999999999 110.378 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.013 HG12 ' CB ' ' A' ' 106' ' ' ASP . 3.2 m -44.0 -41.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 72.239999999999995 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.84 -44.44 93.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' CG ' ' NZ ' ' A' ' 51' ' ' LYS . 2.4 t0 -54.12 -33.34 57.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 51.310000000000002 109.233 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.532 HG23 ' CD2' ' A' ' 108' ' ' PHE . 2.6 t -69.37 -44.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 71.230000000000004 109.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' VAL . 39.3 ttt85 -38.62 -41.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.349999999999994 110.258 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -68.23 -61.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 64.329999999999998 109.341 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.778 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -46.95 -25.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.030000000000001 109.3 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 8.5 mmm180 -79.71 -39.19 31.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 74.040000000000006 110.303 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.9 pt-20 -89.37 -4.38 58.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 75.540000000000006 110.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LEU . 66.2 mt-30 -111.25 -56.87 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.230000000000004 110.339 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.682 ' CG ' HD13 ' A' ' 53' ' ' LEU . 23.2 m-70 -117.64 80.09 13.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 74.540000000000006 109.633 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.503 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.94 -31.28 6.44 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.551 1.817 . . . . 74.040000000000006 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 p -90.18 28.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 72.209999999999994 110.415 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -136.13 147.19 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.25 109.274 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.704 ' HB ' HG13 ' A' ' 54' ' ' VAL . 29.6 mm -100.0 117.11 63.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 63.340000000000003 109.295 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.94 138.41 23.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 60.009999999999998 110.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.42 156.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 41.310000000000002 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 108' ' ' PHE . 25.4 mm -128.58 95.49 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 63.119999999999997 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.716 ' CD1' HD11 ' A' ' 67' ' ' ILE . 24.6 mt -93.84 120.35 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 64.400000000000006 109.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.589 ' OE2' ' CE1' ' A' ' 7' ' ' PHE . 2.2 mm-40 -128.47 166.93 17.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 73.349999999999994 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 ptt85 -77.26 138.89 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 73.239999999999995 110.385 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.06 139.13 55.27 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.569 1.168 . . . . 54.109999999999999 111.004 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 22.6 mtmm -57.32 96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 73.549999999999997 109.244 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.91 17.65 8.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 74.450000000000003 111.03 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.5 tp10 -105.66 107.3 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 62.140000000000001 110.258 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -31.31 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 64.400000000000006 109.219 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.424 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.9 mm-40 -39.17 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 65.430000000000007 110.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.594 HD11 ' CA ' ' A' ' 115' ' ' SER . 2.8 mt -58.41 151.68 48.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.319999999999993 109.289 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 165.12 32.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 72.019999999999996 111.093 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' LEU . 2.6 p -73.71 114.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 71.25 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.483 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.26 141.89 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 70.209999999999994 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.483 ' H ' HD13 ' A' ' 47' ' ' LEU . 2.6 m-20 -40.55 -39.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.244 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -159.3 -171.14 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 64.030000000000001 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.405 HG22 ' HG2' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -114.5 -28.45 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 64.230000000000004 110.388 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 6.7 mtmt -90.61 130.13 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 74.5 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HA ' HG22 ' B' ' 339' ' ' THR . 59.3 m-85 -140.18 136.9 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 64.540000000000006 110.986 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 27' ' ' HIS . 8.9 mt -105.07 103.16 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 70.040000000000006 109.233 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.732 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.1 p -95.84 143.85 26.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.441 1.088 . . . . 54.109999999999999 109.3 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.98 130.42 13.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 72.209999999999994 110.974 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.34 52.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.209999999999994 109.266 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.803 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.57 21.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 74.420000000000002 109.622 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.803 HG13 ' ND1' ' A' ' 57' ' ' HIS . 34.1 m -138.28 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 63.399999999999999 109.344 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -110.98 162.18 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 54.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.563 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -58.89 -25.18 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 72.030000000000001 111.041 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.524 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -58.7 -50.56 73.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 60.520000000000003 110.052 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' LYS . 11.0 mm-40 -42.28 -52.48 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.319999999999993 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 35' ' ' ILE . 4.8 tp -47.4 -39.89 16.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' SER . 8.1 mm -59.46 -39.61 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 62.299999999999997 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 68.9 mttt -72.9 -37.98 67.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 65.209999999999994 109.225 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.923 HG21 ' HB3' ' B' ' 341' ' ' LEU . 15.5 mm -66.37 -30.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 63.229999999999997 109.299 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 35' ' ' ILE . 20.1 mm -77.1 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -44.71 -40.45 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 75.109999999999999 110.268 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.559 HH21 ' HB2' ' B' ' 347' ' ' ASP . 5.1 mmt180 -61.04 -37.42 82.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 73.230000000000004 110.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.0 mtt85 -69.02 -49.09 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 71.150000000000006 110.307 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.456 HD21 HD22 ' A' ' 47' ' ' LEU . 12.3 mt -61.57 -17.5 55.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 72.230000000000004 109.27 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 38.85 50.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.519999999999996 110.273 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.611 HD13 ' OE1' ' A' ' 77' ' ' GLN . 2.2 mt -79.52 -178.52 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 60.030000000000001 109.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.67 174.79 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 74.200000000000003 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.41 -24.24 62.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 44.43 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -77.58 -38.09 49.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.340000000000003 109.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.611 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 tm0? -64.97 143.48 57.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 110.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.577 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -112.61 139.79 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 75.299999999999997 109.337 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -142.29 137.05 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 111.025 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -143.16 134.93 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 53.43 110.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.31 114.24 26.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 70.099999999999994 109.306 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.2 mm? -92.49 109.69 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 74.120000000000005 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.895 HG22 ' SD ' ' A' ' 111' ' ' MET . 3.9 t -80.4 111.86 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.329999999999998 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.4 8.42 6.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 73.329999999999998 109.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 11.41 35.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.456 1.098 . . . . 61.149999999999999 110.926 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 15.3 p80 -132.35 142.97 49.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 74.019999999999996 109.675 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.15 166.58 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 72.540000000000006 109.976 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.8 11.67 18.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 73.310000000000002 111.029 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.7 p -39.96 135.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.8 OUTLIER 86.44 21.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 43.149999999999999 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.563 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -38.72 99.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.321 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.1 m -132.36 15.52 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.420000000000002 109.995 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 90.1 m -130.11 143.27 48.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 72.010000000000005 110.383 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.01 144.51 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 74.200000000000003 110.95 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.511 HG21 ' CG2' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -54.55 -20.84 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.338 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.2 p -67.0 -38.25 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 109.955 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 100' ' ' GLU . 40.5 mt-10 -89.39 -51.67 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 74.430000000000007 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.1 t -42.77 -36.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.714 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.75 -37.23 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 73.420000000000002 111.012 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 pt-20 -79.49 -4.02 49.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 74.239999999999995 110.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.45 5.81 13.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.149999999999999 110.045 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ARG . 10.2 mm-40 -135.49 -51.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 75.099999999999994 110.344 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.49 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.6 ppt_? -36.22 153.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 73.510000000000005 110.238 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -110.16 -179.41 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 52.109999999999999 109.277 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -38.71 -53.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.25 110.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 1.013 ' CB ' HG12 ' A' ' 17' ' ' VAL . 23.6 p-10 -44.65 -49.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 72.310000000000002 109.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 101.67 23.84 9.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 33.439999999999998 111.026 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.732 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.64 131.28 56.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 0.765 . . . . 73.310000000000002 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.29 141.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 71.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -126.42 107.58 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 75.439999999999998 110.984 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.895 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.7 mtt -131.39 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 64.010000000000005 111.038 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.7 t -103.82 134.49 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 73.329999999999998 109.358 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 2.7 p90 -112.9 143.92 43.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 73.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -156.71 178.36 10.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 24.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.594 ' CA ' HD11 ' A' ' 44' ' ' LEU . 30.2 t -88.77 18.28 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 63.340000000000003 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -150.09 150.38 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 70.450000000000003 110.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 2.7 tt0 -123.92 -1.82 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 54.409999999999997 110.221 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p -134.04 54.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.450000000000003 110.417 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -93.99 -22.85 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 75.129999999999995 111.05 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 111.0 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 14.5 mtp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.444 0.164 . . . . 62.229999999999997 111.053 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 51.5 p -162.69 172.45 15.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 65.519999999999996 110.05 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 106.89 -25.83 21.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.534 1.146 . . . . 43.009999999999998 110.945 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.66 128.77 3.21 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.049 -0.82 . . . . 53.43 111.049 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.495 ' HB2' ' HZ1' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -126.09 69.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 71.129999999999995 109.284 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.43 -58.62 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 73.319999999999993 109.274 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.41 126.05 47.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 74.409999999999997 109.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.778 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.6 m0 -78.74 -153.58 0.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.54 1.15 . . . . 73.140000000000001 107.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -94.19 160.57 14.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 75.25 110.36 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 340' ' ' HIS . . . . . 0.413 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.1 OUTLIER -112.33 130.87 55.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 75.310000000000002 109.558 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.923 ' HB3' HG21 ' A' ' 66' ' ' ILE . 6.0 mt -97.63 113.61 25.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.484 1.115 . . . . 73.230000000000004 109.302 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -105.25 130.95 53.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 62.219999999999999 110.054 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.578 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -84.05 3.92 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 53.030000000000001 110.006 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.425 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -94.63 -29.57 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 71.409999999999997 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.59 -0.68 43.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 61.520000000000003 110.345 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.599 HG12 HD13 ' A' ' 66' ' ' ILE . 4.8 m -75.62 -176.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 109.354 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 347' ' ' ASP . . . . . 0.559 ' HB2' HH21 ' A' ' 69' ' ' ARG . 35.2 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 64.450000000000003 109.284 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.015 -0.365 . . . . 54.43 110.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtp -127.08 95.42 36.78 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 74.030000000000001 111.056 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.64 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.552 1.817 . . . . 72.219999999999999 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -171.78 134.47 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 60.340000000000003 110.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 10.1 tp10 -127.48 131.51 50.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 71.450000000000003 110.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 4' ' ' GLU . 46.9 mttp -53.5 177.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 65.129999999999995 109.338 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.753 HG23 ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -114.26 155.46 26.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 52.200000000000003 110.423 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.545 ' CD1' ' OE2' ' A' ' 36' ' ' GLU . 89.8 m-85 -49.21 -22.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 75.299999999999997 111.004 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.753 ' HG3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -81.55 -34.49 31.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 74.230000000000004 109.257 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' THR . 28.5 mt-30 -95.41 -65.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 60.229999999999997 110.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.628 ' HG2' HH21 ' A' ' 11' ' ' ARG . 29.8 tpt180 -37.91 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 63.539999999999999 110.314 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.628 HH21 ' HG2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -47.32 108.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 70.400000000000006 110.303 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 t -54.36 130.09 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 61.509999999999998 110.034 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.4 t80 -44.96 -42.08 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 71.109999999999999 111.045 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.99 -39.91 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 72.439999999999998 110.274 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 75.040000000000006 110.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.494 ' CD ' ' OH ' ' A' ' 110' ' ' TYR . 18.2 ttm105 -74.57 -60.21 2.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 106' ' ' ASP . 97.7 t -45.09 -29.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 72.239999999999995 109.333 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -81.66 -40.01 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 74.549999999999997 110.243 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ARG . 13.5 t70 -60.83 -31.4 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 51.310000000000002 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.76 -37.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 71.230000000000004 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -42.84 -41.47 3.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 73.349999999999994 110.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.5 mt -64.48 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 64.329999999999998 109.29 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.67 HD11 HD11 ' A' ' 53' ' ' LEU . 1.1 tp -48.72 -24.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 73.030000000000001 109.236 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -81.23 -35.65 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.040000000000006 110.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.3 pt-20 -91.25 -5.13 55.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 75.540000000000006 110.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 32.3 mt-30 -114.84 -54.99 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 74.230000000000004 110.353 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.6 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 21.7 m-70 -117.76 80.39 13.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 74.540000000000006 109.635 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -31.45 6.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 74.040000000000006 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -90.0 29.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 72.209999999999994 110.416 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.07 148.21 49.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 74.25 109.29 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.731 HG23 ' CD2' ' A' ' 99' ' ' TYR . 16.4 mm -103.27 116.98 61.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 63.340000000000003 109.323 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.58 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.96 133.87 17.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.548 1.815 . . . . 60.009999999999998 111.031 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.437 HG12 ' HB2' ' A' ' 109' ' ' LEU . 4.3 m -139.54 155.09 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 41.310000000000002 109.243 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.657 HG23 HG22 ' A' ' 50' ' ' THR . 8.3 mm -123.43 98.76 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 63.119999999999997 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.871 HD12 HD11 ' A' ' 81' ' ' LEU . 4.3 mm -88.36 113.88 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 64.400000000000006 109.279 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.545 ' OE2' ' CD1' ' A' ' 7' ' ' PHE . 73.0 mt-10 -124.84 157.46 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 73.349999999999994 110.34 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.43 142.3 50.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.239999999999995 110.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -64.88 138.78 58.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 54.109999999999999 110.977 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 ptmm? -56.72 100.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.549999999999997 109.297 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.86 17.96 11.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 110.979 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 43' ' ' GLN . 7.4 tp10 -103.56 109.18 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 62.140000000000001 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 -37.14 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 64.400000000000006 109.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 51.3 mt-30 -38.88 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 65.430000000000007 110.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 73' ' ' LEU . 5.0 mt -57.87 150.71 47.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.518 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.93 167.48 26.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.469 1.773 . . . . 72.019999999999996 111.016 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -81.5 118.43 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 71.25 109.309 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.585 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -42.57 144.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 70.209999999999994 109.295 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.585 ' H ' HD13 ' A' ' 47' ' ' LEU . 11.0 t0 -46.1 -44.48 15.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 65.120000000000005 109.245 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.19 -174.58 4.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 64.030000000000001 109.249 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 35' ' ' ILE . 2.3 m -113.48 -25.78 8.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 64.230000000000004 110.429 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 7.9 mtmt -87.69 128.95 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.5 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.638 ' HA ' HG22 ' B' ' 339' ' ' THR . 96.6 m-85 -140.53 130.32 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 64.540000000000006 111.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.67 HD11 HD11 ' A' ' 23' ' ' ILE . 2.5 mt -96.46 104.4 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 70.040000000000006 109.355 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.2 p -102.21 143.58 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 54.109999999999999 109.338 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 136.01 19.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 72.209999999999994 110.99 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -87.54 46.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.764 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.2 22.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.617 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.764 HG13 ' ND1' ' A' ' 57' ' ' HIS . 35.6 m -134.62 -166.21 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 63.399999999999999 109.27 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.7 147.64 37.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 54.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.6 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.2 ppp? -46.17 -25.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.674 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -56.41 -54.83 41.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 60.520000000000003 110.019 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.26 -57.15 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 65.319999999999993 110.28 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.941 HD12 HD11 ' A' ' 95' ' ' ILE . 1.1 tt -40.68 -42.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 75.349999999999994 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.75 -54.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 62.299999999999997 109.338 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -57.32 -19.26 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 109.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.893 ' CG2' HD13 ' B' ' 341' ' ' LEU . 2.8 mm -85.06 -39.42 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 63.229999999999997 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.601 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.7 mm -67.55 -52.88 36.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.109999999999999 109.261 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.4 -21.99 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 75.109999999999999 110.216 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.439 HH21 ' HB2' ' B' ' 347' ' ' ASP . 4.6 mmt180 -77.2 -29.15 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.230000000000004 110.253 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.579 ' CB ' HD11 ' A' ' 47' ' ' LEU . 7.5 mmm180 -77.23 -39.85 47.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 71.150000000000006 110.313 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD22 ' HD2' ' A' ' 45' ' ' PRO . 9.0 mt -77.65 -6.59 54.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.177 . . . . 72.230000000000004 109.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 38.7 44.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.318 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.894 HD22 ' HG2' ' A' ' 77' ' ' GLN . 11.6 mt -83.62 174.66 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 60.030000000000001 109.373 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -131.17 -171.65 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 74.200000000000003 109.324 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.69 78.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 44.43 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -60.81 -38.76 86.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.298 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.894 ' HG2' HD22 ' A' ' 73' ' ' LEU . 50.1 tp60 -93.77 138.02 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 110.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.25 135.11 46.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 75.299999999999997 109.279 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.601 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -136.25 133.42 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 75.540000000000006 110.959 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.513 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.4 m-85 -143.42 115.6 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 53.43 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD11 HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -84.95 114.62 22.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 70.099999999999994 109.262 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -86.95 116.44 25.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.120000000000005 109.245 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 12.0 t -76.58 104.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 75.329999999999998 109.246 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.461 ' CB ' ' NE2' ' A' ' 86' ' ' HIS . 1.4 m-20 69.89 8.24 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 73.329999999999998 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.23 -2.38 26.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 61.149999999999999 111.048 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 3.3 p80 -119.17 127.02 52.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 0.813 . . . . 74.019999999999996 109.607 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.497 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.48 172.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 72.540000000000006 109.983 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -118.32 42.22 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.310000000000002 110.964 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -38.57 -31.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.209999999999994 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.5 m -121.43 103.44 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 43.149999999999999 109.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.674 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -107.31 88.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -126.84 17.55 7.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 74.420000000000002 110.077 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.599 HG23 ' HD2' ' A' ' 94' ' ' PRO . 19.2 m -127.53 144.88 52.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.010000000000005 110.358 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.04 138.66 23.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 74.200000000000003 110.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -47.23 -26.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.510000000000005 109.26 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 94' ' ' PRO . 95.9 p -61.49 -43.68 98.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 109.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -81.13 -55.85 4.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 74.430000000000007 110.324 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 93' ' ' THR . 3.9 t -41.69 -30.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.731 ' CD2' HG23 ' A' ' 31' ' ' ILE . 1.5 t80 -81.13 -47.36 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 73.420000000000002 110.956 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.34 -4.35 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 74.239999999999995 110.298 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -111.22 -11.24 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 63.149999999999999 110.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 109' ' ' LEU . 55.0 mm-40 -121.09 -57.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 75.099999999999994 110.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.1 ppt_? -37.55 152.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 73.510000000000005 110.27 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.31 -175.19 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 52.109999999999999 109.262 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 42.8 mt-10 -45.38 -46.6 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 74.25 110.308 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.763 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -39.96 -49.51 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.310000000000002 109.34 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 103.45 0.23 46.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 33.439999999999998 110.985 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.654 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -108.29 134.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 73.310000000000002 110.946 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.4 mt -79.0 148.6 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 71.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.494 ' OH ' ' CD ' ' A' ' 16' ' ' ARG . 96.8 m-85 -125.56 112.18 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.439999999999998 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.595 ' HB3' HD22 ' A' ' 81' ' ' LEU . 15.9 mtt -127.42 148.39 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 64.010000000000005 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.529 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.4 t -126.83 115.89 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 73.329999999999998 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.531 ' HD2' HG22 ' A' ' 35' ' ' ILE . 5.4 p90 -100.42 156.31 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 73.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.462 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -176.17 178.28 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 24.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.53 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.4 t -90.63 32.33 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.340000000000003 110.046 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -149.87 123.06 8.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 70.450000000000003 110.338 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.513 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 6.0 tt0 -111.58 -7.59 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 54.409999999999997 110.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 61.9 p -132.83 52.96 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 61.450000000000003 110.423 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -87.07 -29.1 22.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.065 . . . . 75.129999999999995 111.073 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 75.540000000000006 111.022 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 20.5 mtt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.434 0.159 . . . . 62.229999999999997 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 85.9 p -127.96 9.19 6.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 65.519999999999996 109.985 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.25 149.79 5.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 43.009999999999998 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.83 -111.86 0.31 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.843 . . . . 53.43 110.994 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.93 40.84 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 0.791 . . . . 71.129999999999995 109.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -44.6 -45.91 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 73.319999999999993 109.357 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.95 131.92 41.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 74.409999999999997 109.307 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.654 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 4.8 m0 -69.01 -154.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 73.140000000000001 108.032 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -95.81 159.3 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 75.25 110.402 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 132.09 45.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 75.310000000000002 109.58 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.893 HD13 ' CG2' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -100.14 85.72 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 109.252 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.0 120.1 32.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 62.219999999999999 109.985 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' B' ' 343' ' ' SER . 0.0 OUTLIER -86.67 13.75 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 53.030000000000001 109.983 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 -24.6 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 71.409999999999997 109.314 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -89.53 -0.47 57.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 61.520000000000003 110.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.405 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 3.0 m -82.85 167.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 73.120000000000005 109.33 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 347' ' ' ASP . . . . . 0.439 ' HB2' HH21 ' A' ' 69' ' ' ARG . 24.8 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 64.450000000000003 109.253 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.982 -0.377 . . . . 54.43 109.982 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mmt -62.7 156.26 65.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.030000000000001 111.017 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.88 42.88 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.448 1.762 . . . . 72.219999999999999 110.95 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -127.27 170.63 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 60.340000000000003 109.978 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -109.86 157.09 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 71.450000000000003 110.27 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -54.75 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 65.129999999999995 109.289 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 4.1 p -127.56 154.3 45.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 52.200000000000003 110.432 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.563 ' CD1' ' HD3' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -41.72 -27.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 75.299999999999997 111.015 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 21.5 ptmt -71.73 -48.81 44.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 74.230000000000004 109.318 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.2 mm-40 -83.31 -60.72 2.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 60.229999999999997 110.33 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 6' ' ' THR . 36.7 tpt85 -50.66 -72.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 63.539999999999999 110.377 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.544 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 2.8 mpt_? -69.3 119.11 13.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 70.400000000000006 110.262 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.77 133.13 51.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 61.509999999999998 109.986 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -47.0 -47.44 22.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 71.109999999999999 110.983 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.74 -29.3 66.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 110.29 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -82.46 -29.09 30.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.329 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.582 HH21 ' HD1' ' A' ' 13' ' ' PHE . 38.9 ttp180 -83.43 -23.66 32.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 73.109999999999999 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.898 HG22 ' HA ' ' A' ' 106' ' ' ASP . 72.8 t -81.82 -34.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 72.239999999999995 109.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 15.7 pt-20 -75.66 -42.9 50.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 74.549999999999997 110.383 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -50.47 -46.17 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 51.310000000000002 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -61.96 -44.72 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 71.230000000000004 109.348 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 12.6 ttm180 -38.53 -46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 73.349999999999994 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.8 mt -61.1 -49.31 77.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.589 1.181 . . . . 64.329999999999998 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.798 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.2 tp -61.59 -22.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.141 . . . . 73.030000000000001 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -82.06 -37.11 26.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 74.040000000000006 110.381 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -88.16 -12.88 42.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.540000000000006 110.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' B' ' 336' ' ' ASP . 23.2 mt-30 -104.92 -51.21 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 74.230000000000004 110.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 10.5 m-70 -122.34 77.03 44.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.540000000000006 109.554 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.2 8.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.542 1.812 . . . . 74.040000000000006 110.998 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.4 p -90.54 25.67 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 72.209999999999994 110.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.47 149.8 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.25 109.227 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.663 HG23 ' CD2' ' A' ' 99' ' ' TYR . 16.0 mm -101.52 116.68 63.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 63.340000000000003 109.361 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 139.36 24.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 60.009999999999998 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 52' ' ' PHE . 1.5 m -143.82 159.44 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 41.310000000000002 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.486 HG13 ' CD1' ' A' ' 108' ' ' PHE . 2.8 mm -136.78 95.81 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 63.119999999999997 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.81 HD13 HD11 ' A' ' 67' ' ' ILE . 14.3 mt -89.01 127.78 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 64.400000000000006 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -129.65 152.87 48.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 73.349999999999994 110.301 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -64.86 136.16 56.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 73.239999999999995 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.501 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 11.7 t80 -59.89 148.85 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 54.109999999999999 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.7 ptpp? -69.6 93.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 73.549999999999997 109.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.67 21.22 6.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -109.45 111.14 22.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 62.140000000000001 110.258 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 -31.04 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 64.400000000000006 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -42.65 -81.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 65.430000000000007 110.36 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.599 HD12 ' C ' ' A' ' 114' ' ' ALA . 14.2 mt -55.91 143.03 62.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 74.319999999999993 109.26 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -75.01 167.01 27.99 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.532 1.806 . . . . 72.019999999999996 111.045 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.79 117.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 71.25 109.271 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.603 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.33 146.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.16 . . . . 70.209999999999994 109.248 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.603 ' H ' HD13 ' A' ' 47' ' ' LEU . 13.7 t0 -52.07 -45.91 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 65.120000000000005 109.245 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 175.68 9.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 64.030000000000001 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -108.47 -25.99 10.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 64.230000000000004 110.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 8.7 mtmm -97.79 132.16 43.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 74.5 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.638 ' HB3' HD11 ' B' ' 341' ' ' LEU . 29.8 m-85 -139.69 138.07 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 64.540000000000006 111.008 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 7.6 mt -103.99 104.21 14.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 70.040000000000006 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.755 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -88.29 141.61 30.95 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 54.109999999999999 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 132.69 15.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 72.209999999999994 110.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -86.71 46.0 1.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.906 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -148.8 19.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 74.420000000000002 109.555 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.906 HG13 ' ND1' ' A' ' 57' ' ' HIS . 33.0 m -137.09 -165.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 63.399999999999999 109.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -117.03 150.51 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 54.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.628 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -46.13 -24.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 72.030000000000001 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.677 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -58.05 -56.16 25.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 60.520000000000003 110.002 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' OE1' HG11 ' A' ' 58' ' ' VAL . 21.8 mt-10 -42.05 -50.07 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 65.319999999999993 110.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -44.21 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 75.349999999999994 109.247 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 64' ' ' ILE . 5.8 mm -57.8 -41.51 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 62.299999999999997 109.302 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' GLU . 60.6 mtpt -67.06 -35.64 80.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 65.209999999999994 109.31 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.932 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.6 mm -67.76 -38.88 81.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 63.229999999999997 109.346 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.81 HD11 HD13 ' A' ' 35' ' ' ILE . 19.8 mm -68.69 -69.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 74.109999999999999 109.27 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 110.345 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 67' ' ' ILE . 2.5 mmp_? -69.96 -49.72 48.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 73.230000000000004 110.24 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -58.36 -35.4 71.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.61 1.194 . . . . 71.150000000000006 110.327 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.642 HD22 ' HD2' ' A' ' 45' ' ' PRO . 6.1 mt -82.36 -16.73 48.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 72.230000000000004 109.368 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' LEU . 19.6 pt20 38.6 47.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.283 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.886 HD22 ' HG2' ' A' ' 77' ' ' GLN . 4.4 mt -80.05 -179.98 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 60.030000000000001 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -120.31 -175.17 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 74.200000000000003 109.268 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -36.06 82.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 44.43 109.276 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.41 -39.5 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 74.340000000000003 109.328 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.886 ' HG2' HD22 ' A' ' 73' ' ' LEU . 35.4 tp60 -87.08 119.08 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.13 140.95 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.299999999999997 109.306 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -141.21 134.5 29.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 75.540000000000006 111.071 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.502 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.8 m-85 -142.98 129.29 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 53.43 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -94.58 118.63 31.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 70.099999999999994 109.279 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.662 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -95.41 117.03 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.292 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.866 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.6 t -86.27 112.24 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.256 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.24 11.77 8.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 73.329999999999998 109.309 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.56 6.53 50.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 61.149999999999999 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 20.3 p80 -127.47 130.01 48.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 74.019999999999996 109.604 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.561 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.36 172.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 72.540000000000006 110.014 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.443 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -120.54 42.24 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.077 . . . . 73.310000000000002 111.067 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.564 HG12 ' OE1' ' A' ' 117' ' ' GLU . 3.2 m -39.8 -30.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.4 m -117.74 104.46 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 43.149999999999999 109.964 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.677 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -108.43 87.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.14 . . . . 73.430000000000007 109.314 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.0 t -124.31 18.39 9.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.577 HG23 ' HD2' ' A' ' 94' ' ' PRO . 21.9 m -131.01 144.59 54.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 72.010000000000005 110.378 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.02 142.74 28.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.517 1.799 . . . . 74.200000000000003 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.922 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -51.31 -22.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 p -68.2 -41.01 82.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 109.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 28.6 mm-40 -82.97 -53.57 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 110.242 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.551 HG23 HG22 ' A' ' 93' ' ' THR . 5.1 t -42.85 -34.96 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 73.030000000000001 109.331 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.687 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.45 -39.35 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 73.420000000000002 111.025 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.9 pt-20 -78.05 -4.17 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.239999999999995 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.46 5.36 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 63.149999999999999 110.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ARG . 6.4 mm-40 -136.56 -53.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 75.099999999999994 110.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -35.66 152.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 73.510000000000005 110.327 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -108.67 -175.04 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 52.109999999999999 109.297 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -49.99 -29.82 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.25 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.898 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 72.310000000000002 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.28 36.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 33.439999999999998 111.041 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.79 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.7 OUTLIER -111.82 129.25 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 0.757 . . . . 73.310000000000002 111.076 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.687 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.49 135.66 37.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.458 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.5 m-85 -117.25 107.7 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 111.035 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.866 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.6 mtt -132.96 135.0 45.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 64.010000000000005 111.008 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.9 t -106.67 135.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 5.9 p90 -111.4 153.67 25.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 73.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.599 ' C ' HD12 ' A' ' 44' ' ' LEU . . . -163.55 177.94 8.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 24.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.406 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.1 p -89.9 19.9 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.340000000000003 110.015 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -150.03 150.07 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 70.450000000000003 110.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 2.6 tt0 -123.97 -1.74 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 54.409999999999997 110.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.3 p -135.59 56.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 61.450000000000003 110.45 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -94.2 -34.17 13.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 75.129999999999995 111.044 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.133 . . . . 75.540000000000006 111.017 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 11.5 mtt . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.464 0.173 . . . . 62.229999999999997 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 12.1 t -41.67 -55.5 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 65.519999999999996 110.051 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -79.64 55.27 4.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.388 1.055 . . . . 43.009999999999998 111.005 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -92.19 56.32 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.03 -0.828 . . . . 53.43 111.03 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -118.09 60.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 71.129999999999995 109.351 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 336' ' ' ASP . . . . . 0.515 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 13.6 m-20 -42.92 -52.11 5.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 73.319999999999993 109.301 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -153.9 154.76 34.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 74.409999999999997 109.26 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.798 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.5 m0 -91.32 -152.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.140000000000001 107.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -96.32 160.03 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.25 110.373 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 125.37 53.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 75.310000000000002 109.581 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.932 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -92.14 92.73 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 73.230000000000004 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -86.02 130.85 34.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.114 . . . . 62.219999999999999 109.945 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.19 5.92 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 53.030000000000001 109.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -98.82 -23.18 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 71.409999999999997 109.299 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -87.11 -0.64 56.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 61.520000000000003 110.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.61 HG12 HD13 ' A' ' 66' ' ' ILE . 3.7 m -76.52 -179.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.339 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 64.450000000000003 109.244 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.944 -0.391 . . . . 54.43 109.944 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptp -138.26 158.86 70.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.030000000000001 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.537 1.809 . . . . 72.219999999999999 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -173.13 159.01 3.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 60.340000000000003 110.002 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -152.87 150.08 28.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 71.450000000000003 110.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -54.68 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 65.129999999999995 109.34 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLN . 10.7 p -124.34 156.77 36.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 52.200000000000003 110.37 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.719 ' CZ ' HG21 ' A' ' 50' ' ' THR . 16.7 m-85 -44.84 -24.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 75.299999999999997 110.915 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 16' ' ' ARG . 18.4 ptpt -73.41 -43.04 61.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 74.230000000000004 109.329 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.5 mt-30 -91.18 -64.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 60.229999999999997 110.367 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' THR . 25.9 tpt180 -45.19 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 63.539999999999999 110.256 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 8.6 mpt_? -57.75 124.8 20.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 70.400000000000006 110.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -65.15 123.2 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 61.509999999999998 109.961 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.646 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.2 t80 -39.85 -57.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 71.109999999999999 110.947 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 32.5 mt-10 -55.64 -35.55 66.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 72.439999999999998 110.311 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' SER . 50.0 tt0 -66.95 -41.48 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 75.040000000000006 110.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.631 ' NH1' ' CE1' ' A' ' 110' ' ' TYR . 59.4 mtm180 -66.44 -60.41 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 73.109999999999999 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 106' ' ' ASP . 3.7 p -48.21 -57.1 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 72.239999999999995 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.549 ' H ' HG13 ' A' ' 17' ' ' VAL . 49.9 tt0 -41.11 -28.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 74.549999999999997 110.356 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' VAL . 3.7 t70 -74.53 -55.27 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 51.310000000000002 109.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.921 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.21 -42.69 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 71.230000000000004 109.291 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -45.09 -34.05 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 73.349999999999994 110.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.37 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 64.329999999999998 109.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.926 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -53.95 -24.55 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -32.34 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.040000000000006 110.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -13.16 18.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 75.540000000000006 110.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -97.77 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.230000000000004 110.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -118.22 79.72 14.98 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 109.588 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.52 12.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.477 1.777 . . . . 74.040000000000006 110.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -83.2 8.34 13.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 72.209999999999994 110.39 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -126.94 158.64 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.25 109.251 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 99' ' ' TYR . 10.1 mm -107.04 120.61 47.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 63.340000000000003 109.322 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.05 127.28 10.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 60.009999999999998 110.956 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -132.43 156.12 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 41.310000000000002 109.312 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.3 mm -129.71 97.13 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 63.119999999999997 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.3 mt -91.76 132.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' HG3' ' CE1' ' A' ' 7' ' ' PHE . 10.7 mm-40 -140.53 140.18 35.18 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.571 1.169 . . . . 73.349999999999994 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.96 140.9 35.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 110.237 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -60.88 140.66 57.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 54.109999999999999 110.986 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.8 ptmt -57.86 95.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 73.549999999999997 109.234 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.03 18.18 7.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 74.450000000000003 111.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -86.14 116.03 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.797 . . . . 62.140000000000001 110.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 1.4 pptp? -119.25 -40.35 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 64.400000000000006 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.41 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 34.8 mt-30 -45.32 -84.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 65.430000000000007 110.286 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 115' ' ' SER . 6.6 mt -55.37 151.03 20.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.34 31.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 72.019999999999996 111.036 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.1 t -77.99 119.38 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 71.25 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.736 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.81 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 70.209999999999994 109.234 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.581 ' H ' HD13 ' A' ' 47' ' ' LEU . 71.7 m-20 -71.85 -38.18 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 65.120000000000005 109.316 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' CE ' ' HB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -130.12 -177.16 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 64.030000000000001 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.719 HG21 ' CZ ' ' A' ' 7' ' ' PHE . 29.1 m -112.97 -33.9 5.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.073 . . . . 64.230000000000004 110.425 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.593 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.3 OUTLIER -113.77 147.27 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 74.5 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 51' ' ' LYS . 3.3 m-85 -140.22 146.42 38.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 64.540000000000006 110.967 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.926 HD21 HG12 ' A' ' 23' ' ' ILE . 25.3 mt -100.93 103.14 14.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 70.040000000000006 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.719 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.5 p -92.52 142.53 25.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 54.109999999999999 109.288 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.96 123.7 8.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.52 1.8 . . . . 72.209999999999994 111.025 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -77.62 56.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 73.209999999999994 109.273 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.497 ' ND1' HG13 ' A' ' 58' ' ' VAL . 7.5 p80 -159.23 29.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.420000000000002 109.638 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG13 ' ND1' ' A' ' 57' ' ' HIS . 25.9 m -145.9 -164.82 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 63.399999999999999 109.341 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.46 154.73 26.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 54.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.612 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -52.75 -25.15 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 72.030000000000001 111.029 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.645 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -51.5 69.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 60.520000000000003 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' OE2' HG11 ' B' ' 346' ' ' VAL . 40.0 mm-40 -42.27 -57.36 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 65.319999999999993 110.363 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.618 HD12 HG12 ' A' ' 67' ' ' ILE . 3.5 tp -40.16 -47.56 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 75.349999999999994 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 64' ' ' ILE . 6.5 mm -51.13 -62.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 62.299999999999997 109.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 9.3 mtmm -52.97 -32.36 45.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 65.209999999999994 109.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.648 ' CG2' HD22 ' B' ' 341' ' ' LEU . 4.5 mt -73.24 -27.26 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 63.229999999999997 109.29 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.618 HG12 HD12 ' A' ' 63' ' ' LEU . 17.1 mm -80.69 -69.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.109999999999999 109.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.54 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -45.15 -25.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 75.109999999999999 110.372 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -73.11 -40.48 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 73.230000000000004 110.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.61 -45.32 75.8 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.459 1.099 . . . . 71.150000000000006 110.357 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.736 HD21 HD22 ' A' ' 47' ' ' LEU . 4.6 mt -68.8 -8.58 44.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 72.230000000000004 109.227 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.0 pt20 39.07 56.01 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 73.519999999999996 110.283 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.783 HD22 ' HG2' ' A' ' 77' ' ' GLN . 6.7 mt -88.43 -179.4 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 60.030000000000001 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -117.02 -174.99 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 74.200000000000003 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.61 58.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 44.43 109.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -81.34 -16.99 50.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.199 . . . . 74.340000000000003 109.329 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.783 ' HG2' HD22 ' A' ' 73' ' ' LEU . 5.7 tp-100 -98.86 117.39 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 75.299999999999997 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.32 130.0 34.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.299999999999997 109.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -134.06 135.5 43.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 75.540000000000006 111.013 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.529 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 20.0 m-85 -143.3 123.82 14.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 53.43 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -90.0 110.09 21.09 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.468 1.105 . . . . 70.099999999999994 109.309 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.531 HD13 ' CA ' ' A' ' 87' ' ' SER . 2.3 mm? -83.89 112.93 20.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.231 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 111' ' ' MET . 24.9 t -83.11 109.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.296 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.7 m-20 67.4 15.76 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.061 . . . . 73.329999999999998 109.354 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.67 7.25 55.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 61.149999999999999 111.023 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 22.9 p80 -128.03 127.7 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 74.019999999999996 109.566 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.531 ' CA ' HD13 ' A' ' 82' ' ' LEU . 1.7 p -57.71 172.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 72.540000000000006 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.456 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -120.92 42.17 3.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 73.310000000000002 111.022 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.738 HG12 ' OE2' ' A' ' 117' ' ' GLU . 3.2 m -39.5 -30.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 72.209999999999994 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 t -121.09 106.16 11.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 43.149999999999999 110.011 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.645 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -107.78 93.91 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 73.430000000000007 109.295 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.08 14.72 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 74.420000000000002 110.008 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.484 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 87.7 m -127.26 143.46 47.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 72.010000000000005 110.398 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.02 140.13 25.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 74.200000000000003 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.551 HD13 HG21 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -48.99 -29.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 74.510000000000005 109.379 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 t -59.96 -40.54 89.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 110.007 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLU . 81.1 mt-10 -84.27 -53.12 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 74.430000000000007 110.23 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 7.2 t -42.65 -34.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 73.030000000000001 109.339 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -78.47 -41.1 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 73.420000000000002 111.024 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.3 pt-20 -77.3 -4.18 43.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 110.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.39 5.33 14.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.149999999999999 110.0 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 4.2 mm-40 -134.61 -53.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 75.099999999999994 110.338 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -36.4 153.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 73.510000000000005 110.289 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -114.55 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 52.109999999999999 109.318 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 88.1 mt-10 -42.49 -53.58 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 74.25 110.26 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.911 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -40.3 -52.04 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 72.310000000000002 109.27 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.921 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 100.63 31.28 5.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 33.439999999999998 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -130.73 133.65 46.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 73.310000000000002 110.959 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.19 136.33 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.631 ' CE1' ' NH1' ' A' ' 16' ' ' ARG . 90.6 m-85 -122.78 107.61 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 110.928 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 83' ' ' VAL . 2.9 mtt -132.36 147.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 64.010000000000005 110.941 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.7 t -116.31 145.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 73.329999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.558 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.6 p90 -120.49 157.9 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.557 ' C ' HD12 ' A' ' 44' ' ' LEU . . . -177.8 177.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 24.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.605 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -92.65 29.82 1.68 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 63.340000000000003 110.029 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -149.74 131.13 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 70.450000000000003 110.37 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.738 ' OE2' HG12 ' A' ' 89' ' ' VAL . 3.4 tt0 -114.44 -9.9 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 54.409999999999997 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 57.1 p -128.19 73.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 61.450000000000003 110.427 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -107.95 -34.94 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 110.925 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 75.540000000000006 111.016 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 9.6 mtt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.48 0.181 . . . . 62.229999999999997 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 51.9 p -141.97 135.53 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 65.519999999999996 110.022 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -49.23 112.4 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 43.009999999999998 110.994 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.62 108.27 2.63 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.068 -0.813 . . . . 53.43 111.068 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.79 67.53 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 71.129999999999995 109.308 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -63.92 -27.44 69.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 73.319999999999993 109.274 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -131.44 109.75 10.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 74.409999999999997 109.247 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.871 ' CE2' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -61.81 -154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 73.140000000000001 107.977 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.427 ' HB ' ' CE ' ' A' ' 49' ' ' LYS . 3.2 t -95.1 145.34 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.25 110.349 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 123.74 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.310000000000002 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.648 HD22 ' CG2' ' A' ' 66' ' ' ILE . 9.7 mt -90.77 121.84 32.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 73.230000000000004 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.55 128.32 55.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 62.219999999999999 109.983 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.5 12.84 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 53.030000000000001 109.995 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -26.61 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 71.409999999999997 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.27 -0.51 41.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 61.520000000000003 110.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.484 HG12 HG12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -79.72 159.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 73.120000000000005 109.267 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 64.450000000000003 109.377 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.021 -0.362 . . . . 54.43 110.021 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mmt 59.41 161.61 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 74.030000000000001 111.0 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -72.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 72.219999999999999 111.046 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -77.28 139.82 39.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 60.340000000000003 110.017 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -159.58 169.85 22.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 71.450000000000003 110.395 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -72.31 169.8 15.48 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.534 1.146 . . . . 65.129999999999995 109.219 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.58 HG23 ' HG2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -109.35 151.12 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 52.200000000000003 110.386 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.545 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 13.7 m-85 -47.97 -22.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 75.299999999999997 110.936 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' A' ' 6' ' ' THR . 8.3 ptmt -81.6 -36.85 28.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.8 mm100 -87.97 -63.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 60.229999999999997 110.308 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' GLN . 46.5 tpt85 -37.04 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 63.539999999999999 110.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 7.5 mpt_? -38.55 144.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 70.400000000000006 110.345 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLN . 3.6 m -71.29 111.14 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 61.509999999999998 109.991 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 -37.73 -60.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 71.109999999999999 111.045 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -44.98 -39.89 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 72.439999999999998 110.314 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.2 tp-100 -67.18 -58.24 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 75.040000000000006 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 20' ' ' VAL . 7.9 mmp_? -48.66 -38.04 20.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 106' ' ' ASP . 97.5 t -75.06 -38.37 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 72.239999999999995 109.343 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -58.34 -48.26 81.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.549999999999997 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD2' ' CD ' ' A' ' 51' ' ' LYS . 9.7 t70 -60.41 -40.03 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 51.310000000000002 109.328 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.529 HG23 ' CD2' ' A' ' 108' ' ' PHE . 14.2 t -56.75 -32.45 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 71.230000000000004 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -61.39 -50.16 74.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 73.349999999999994 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -55.33 -56.51 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.597 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -60.37 -30.34 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 73.030000000000001 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.7 mmm180 -69.1 -33.06 72.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.040000000000006 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.44 -4.94 27.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.540000000000006 110.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' LEU . 31.0 mt-30 -106.47 -62.32 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 74.230000000000004 110.32 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CG ' HD13 ' A' ' 53' ' ' LEU . 30.1 m80 -117.82 80.12 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 109.558 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.98 -29.05 8.67 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 74.040000000000006 110.993 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -89.85 26.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 72.209999999999994 110.415 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -133.05 147.37 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.25 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.513 HG23 ' CD1' ' A' ' 99' ' ' TYR . 38.9 mm -94.94 113.73 61.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 63.340000000000003 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.574 ' HD2' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 60.009999999999998 110.993 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.62 151.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 41.310000000000002 109.322 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.2 mm -124.01 95.57 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 63.119999999999997 109.284 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.503 HD12 ' CD2' ' A' ' 52' ' ' PHE . 9.0 mt -96.2 121.95 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 64.400000000000006 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.875 ' OE1' HG22 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -124.11 179.95 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.349999999999994 110.33 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -83.06 140.62 32.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 73.239999999999995 110.282 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.522 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 22.9 t80 -63.75 154.07 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 54.109999999999999 110.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 23.1 mtmm -75.87 95.02 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 73.549999999999997 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.51 21.02 6.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 74.450000000000003 110.979 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 5.3 tm-20 -116.76 103.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 62.140000000000001 110.33 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 -18.87 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 64.400000000000006 109.347 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -49.33 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 65.430000000000007 110.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.6 mt -54.67 151.96 13.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.366 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 165.54 31.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.536 1.809 . . . . 72.019999999999996 110.983 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.8 t -76.56 117.18 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 71.25 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.757 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.26 145.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 70.209999999999994 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.623 ' H ' HD13 ' A' ' 47' ' ' LEU . 6.0 t0 -49.61 -46.63 49.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 65.120000000000005 109.31 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -138.17 -173.74 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 64.030000000000001 109.299 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 m -115.8 -34.1 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 64.230000000000004 110.342 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 17.1 mtmm -93.94 127.09 39.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 74.5 109.337 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CD2' HD12 ' A' ' 35' ' ' ILE . 86.6 m-85 -132.38 134.02 44.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 64.540000000000006 110.966 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' A' ' 27' ' ' HIS . 17.9 mt -99.22 104.14 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 70.040000000000006 109.362 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -85.1 141.44 37.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 54.109999999999999 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.11 121.98 6.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 72.209999999999994 111.034 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -76.91 57.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 73.209999999999994 109.299 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' ND1' HG13 ' A' ' 58' ' ' VAL . 13.8 p80 -161.19 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 74.420000000000002 109.573 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.495 HG13 ' ND1' ' A' ' 57' ' ' HIS . 13.5 m -148.69 -160.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 63.399999999999999 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -118.7 159.69 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 54.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.655 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.5 ppp? -55.74 -23.23 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 110.961 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.641 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -59.16 -55.35 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 60.520000000000003 109.983 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 23.1 mt-10 -43.09 -52.4 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 65.319999999999993 110.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.808 HD12 HD11 ' A' ' 95' ' ' ILE . 0.8 OUTLIER -41.8 -44.31 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 75.349999999999994 109.356 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 64' ' ' ILE . 7.0 mm -54.7 -52.09 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 62.299999999999997 109.249 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -60.07 -33.58 72.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 65.209999999999994 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.821 HD13 ' CG1' ' B' ' 346' ' ' VAL . 2.8 mm -67.42 -38.09 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 63.229999999999997 109.373 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 63' ' ' LEU . 13.8 mm -70.37 -68.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 9.3 ptm180 -38.94 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 75.109999999999999 110.331 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmp_? -67.92 -51.24 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 110.265 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -62.31 -23.28 66.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 71.150000000000006 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.757 HD21 HD22 ' A' ' 47' ' ' LEU . 28.4 mt -92.37 -3.75 54.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 72.230000000000004 109.299 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.536 ' C ' ' O ' ' A' ' 71' ' ' LEU . 6.5 pm0 27.51 47.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 73.519999999999996 110.308 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.866 HD22 ' HG2' ' A' ' 77' ' ' GLN . 2.0 mt -79.58 -173.67 3.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 60.030000000000001 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -130.34 177.05 7.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 74.200000000000003 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.6 -19.56 65.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 44.43 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -76.88 -33.66 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 74.340000000000003 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.866 ' HG2' HD22 ' A' ' 73' ' ' LEU . 50.2 tp60 -93.69 112.58 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.299999999999997 110.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.74 137.12 36.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 75.299999999999997 109.259 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -138.14 134.74 34.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 75.540000000000006 110.992 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 20.3 m-85 -143.31 132.02 22.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 53.43 111.041 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.45 109.61 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 70.099999999999994 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 82' ' ' LEU . 2.7 mm? -84.84 104.98 15.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.655 HG21 ' CE ' ' A' ' 60' ' ' MET . 29.6 t -77.09 111.1 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.407 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER 65.55 10.88 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 73.329999999999998 109.301 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.51 11.19 36.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 61.149999999999999 111.071 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.9 p80 -130.39 135.96 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 74.019999999999996 109.572 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 171.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.540000000000006 109.988 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.488 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -131.73 31.97 4.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 73.310000000000002 110.995 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.33 -16.22 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 72.209999999999994 109.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' SER . 1.5 m -104.99 22.62 14.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 43.149999999999999 109.928 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -39.98 97.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 109.342 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.7 m -131.6 11.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.972 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.576 HG23 ' HD2' ' A' ' 94' ' ' PRO . 30.2 m -129.35 144.51 53.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 72.010000000000005 110.456 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 139.07 24.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 74.200000000000003 111.022 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.808 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -46.66 -28.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 74.510000000000005 109.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.4 p -62.37 -43.67 98.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 73.109999999999999 110.0 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 35.8 mt-10 -79.58 -55.34 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.561 HG23 HG22 ' A' ' 93' ' ' THR . 22.4 t -43.0 -29.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.030000000000001 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HA ' HD21 ' A' ' 109' ' ' LEU . 37.6 t80 -72.84 -48.75 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 73.420000000000002 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 3.0 pt-20 -81.28 -3.67 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 74.239999999999995 110.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -110.97 1.83 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 63.149999999999999 109.96 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 66.0 mm-40 -132.94 -49.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 75.099999999999994 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.91 156.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 73.510000000000005 110.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.34 -175.2 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 52.109999999999999 109.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -48.32 -27.56 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 74.25 110.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.717 ' HA ' HG22 ' A' ' 17' ' ' VAL . 1.5 p30 -67.09 -45.87 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 72.310000000000002 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . 101.04 6.8 51.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 33.439999999999998 111.013 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.776 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -107.62 133.05 52.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.806 . . . . 73.310000000000002 111.026 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.59 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.17 144.97 35.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 71.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.1 m-85 -131.21 122.43 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 110.993 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.461 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.7 mtt -145.05 145.73 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 64.010000000000005 111.019 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.875 HG22 ' OE1' ' A' ' 36' ' ' GLU . 7.1 t -113.38 141.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.266 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.4 p90 -119.5 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.456 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.51 178.58 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 24.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.488 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.6 t -89.94 23.64 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 63.340000000000003 110.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.9 tp60 -150.02 142.66 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 70.450000000000003 110.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 3.8 tt0 -122.0 -3.19 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 54.409999999999997 110.32 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 67.4 p -137.27 67.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 61.450000000000003 110.363 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -99.23 -34.47 10.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 75.129999999999995 110.989 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 75.540000000000006 110.982 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 51.9 mmm . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.455 0.169 . . . . 62.229999999999997 111.047 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 30.6 m -61.13 87.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 65.519999999999996 110.056 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 167.43 78.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 43.009999999999998 111.029 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' B' ' 335' ' ' ASP . . . -140.33 166.64 25.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.028 -0.829 . . . . 53.43 111.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' B' ' 334' ' ' GLY . 7.5 m-20 39.29 52.04 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 71.129999999999995 109.323 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 336' ' ' ASP . . . . . 0.413 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 1.7 p-10 -59.2 -38.54 80.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.319999999999993 109.289 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -135.49 136.82 41.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 74.409999999999997 109.309 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.776 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 2.3 m0 -88.15 -152.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.546 1.154 . . . . 73.140000000000001 107.978 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 4.9 m -89.8 156.52 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 75.25 110.442 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 112.04 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 75.310000000000002 109.633 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.564 HD13 ' CG2' ' A' ' 66' ' ' ILE . 3.7 mt -92.53 109.56 20.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 73.230000000000004 109.246 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 9.2 m -117.42 146.43 43.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 62.219999999999999 109.976 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.5 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -89.03 6.26 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 53.030000000000001 110.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.417 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -102.49 -20.46 14.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 71.409999999999997 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -94.84 -0.56 53.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 61.520000000000003 110.269 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.821 ' CG1' HD13 ' A' ' 66' ' ' ILE . 9.8 m -76.88 -172.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 73.120000000000005 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 347' ' ' ASP . . . . . 0.411 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 5.6 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 64.450000000000003 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.975 -0.38 . . . . 54.43 109.975 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtp -138.89 95.46 9.65 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 74.030000000000001 110.982 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.1 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.428 1.752 . . . . 72.219999999999999 111.054 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -50.93 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 60.340000000000003 110.015 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.07 124.54 18.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 71.450000000000003 110.286 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -69.48 164.23 23.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 65.129999999999995 109.252 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 9' ' ' GLN . 15.2 p -91.4 147.22 23.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 52.200000000000003 110.352 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' HG2' ' A' ' 36' ' ' GLU . 35.9 m-85 -44.01 -24.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 75.299999999999997 110.986 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -80.5 -42.28 22.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 109.336 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 6' ' ' THR . 5.3 mm-40 -81.45 -61.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 60.229999999999997 110.305 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' GLN . 24.4 tpt180 -37.17 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 63.539999999999999 110.348 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -49.66 145.47 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 70.400000000000006 110.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.4 126.9 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 61.509999999999998 109.982 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.5 t80 -52.26 -45.66 65.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 71.109999999999999 110.996 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -19.26 63.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 72.439999999999998 110.251 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -90.32 -40.64 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 75.040000000000006 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.646 ' NH2' ' CE1' ' A' ' 110' ' ' TYR . 28.3 mmm-85 -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 73.109999999999999 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.889 HG22 ' HA ' ' A' ' 106' ' ' ASP . 49.3 t -73.91 -48.1 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 72.239999999999995 109.357 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 39.4 tt0 -62.84 -51.64 66.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 74.549999999999997 110.251 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -44.54 -36.44 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 51.310000000000002 109.287 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.674 HG23 ' CE2' ' A' ' 108' ' ' PHE . 2.7 t -69.87 -44.3 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 71.230000000000004 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 41.8 ttt180 -38.88 -42.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 73.349999999999994 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -58.69 -67.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 64.329999999999998 109.208 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.722 HD11 HD11 ' A' ' 53' ' ' LEU . 1.1 tp -50.49 -24.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 73.030000000000001 109.315 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -34.93 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 74.040000000000006 110.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.8 -4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 110.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' B' ' 336' ' ' ASP . 11.4 mt-30 -110.63 -57.22 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 74.230000000000004 110.337 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 9.8 m-70 -117.13 80.98 12.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.622 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.88 5.92 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.477 1.777 . . . . 74.040000000000006 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 p -90.27 28.86 1.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 72.209999999999994 110.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 31.3 mmtt -135.11 144.76 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 74.25 109.226 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 10.4 mm -100.83 116.15 64.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.545 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 17.9 Cg_endo -75.05 139.48 24.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 60.009999999999998 110.938 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.86 160.73 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 41.310000000000002 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.552 HG12 ' CD1' ' A' ' 108' ' ' PHE . 6.5 mm -134.9 96.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 63.119999999999997 109.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.807 HD13 HD11 ' A' ' 67' ' ' ILE . 6.7 mt -95.42 131.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 64.400000000000006 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' HG2' ' CG ' ' A' ' 7' ' ' PHE . 3.9 mp0 -132.48 167.63 19.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 110.263 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 -75.62 133.47 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.239999999999995 110.251 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CE2' ' NE2' ' A' ' 116' ' ' GLN . 0.6 OUTLIER -58.89 140.88 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 54.109999999999999 111.023 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.588 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.1 ptmt -56.62 97.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 73.549999999999997 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.37 15.63 9.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 74.450000000000003 111.028 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -93.72 108.96 20.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 62.140000000000001 110.292 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.97 -39.75 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 64.400000000000006 109.319 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.406 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 30.6 mm-40 -44.71 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 65.430000000000007 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -54.97 148.2 29.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 168.43 24.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 72.019999999999996 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 t -83.59 121.8 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 71.25 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.648 HD22 ' CG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -45.65 150.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 70.209999999999994 109.296 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' H ' HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -57.11 -33.92 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 65.120000000000005 109.251 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 -176.07 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 64.030000000000001 109.328 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 35' ' ' ILE . 2.8 m -111.34 -40.24 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 64.230000000000004 110.381 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.517 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 12.0 mtmm -71.81 127.01 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 74.5 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CD2' HD12 ' A' ' 35' ' ' ILE . 68.8 m-85 -138.96 128.36 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 64.540000000000006 111.02 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.722 HD11 HD11 ' A' ' 23' ' ' ILE . 1.7 mt -94.85 104.19 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.539 1.149 . . . . 70.040000000000006 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.857 HG11 HD13 ' A' ' 95' ' ' ILE . 2.4 t -93.22 141.64 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 54.109999999999999 109.328 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.566 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.96 137.62 22.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 72.209999999999994 111.014 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.6 p-10 -88.79 43.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 73.209999999999994 109.234 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.936 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.99 17.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.394 1.059 . . . . 74.420000000000002 109.554 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.936 HG13 ' ND1' ' A' ' 57' ' ' HIS . 19.8 m -136.34 -163.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 63.399999999999999 109.288 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.56 166.11 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 54.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.0 ppp? -58.63 -31.18 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 72.030000000000001 111.033 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.884 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.1 t -54.25 -50.69 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 60.520000000000003 109.971 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.5 mm-40 -42.01 -53.87 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 65.319999999999993 110.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.766 HD12 HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -39.41 -52.79 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 75.349999999999994 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 61' ' ' SER . 3.2 mt -57.96 -56.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 62.299999999999997 109.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 39.7 mtpt -45.35 -26.44 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 65.209999999999994 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.987 HG21 HD13 ' B' ' 341' ' ' LEU . 2.8 mm -84.34 -49.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 63.229999999999997 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 35' ' ' ILE . 19.8 mm -45.9 -68.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 74.109999999999999 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -45.55 -45.71 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 75.109999999999999 110.267 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.591 HH21 ' HB3' ' B' ' 347' ' ' ASP . 3.9 mpt_? -55.45 -35.17 65.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 73.230000000000004 110.313 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -48.49 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 71.150000000000006 110.222 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.648 ' CG ' HD22 ' A' ' 47' ' ' LEU . 81.8 mt -69.33 -8.61 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.230000000000004 109.267 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.2 pt20 45.74 49.73 11.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 110.307 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.53 167.86 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 60.030000000000001 109.344 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -78.2 175.03 10.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 74.200000000000003 109.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.06 -1.17 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 44.43 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -111.7 -32.57 6.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 74.340000000000003 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.67 145.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.299999999999997 110.271 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.03 133.88 55.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 75.299999999999997 109.266 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.761 ' CZ ' HG21 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -150.71 145.02 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.540000000000006 110.973 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 77.0 m-85 -143.85 123.05 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 53.43 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 111' ' ' MET . 0.2 OUTLIER -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 70.099999999999994 109.297 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -91.66 117.07 29.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.120000000000005 109.309 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.878 HG22 ' SD ' ' A' ' 111' ' ' MET . 3.7 t -84.67 105.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 75.329999999999998 109.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.76 15.31 3.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 73.329999999999998 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.17 1.79 58.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.571 1.17 . . . . 61.149999999999999 110.964 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.507 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.2 p80 -122.61 137.11 55.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.778 . . . . 74.019999999999996 109.654 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -57.39 172.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 72.540000000000006 109.992 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.409 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -113.36 29.28 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 111.008 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.515 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.4 p -50.79 128.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 72.209999999999994 109.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 2.0 m 86.36 18.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 43.149999999999999 109.994 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -37.95 102.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.430000000000007 109.267 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -138.26 22.2 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 74.420000000000002 110.018 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 94' ' ' PRO . 8.4 m -128.8 145.32 55.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 72.010000000000005 110.408 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.0 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 74.200000000000003 111.03 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.857 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.62 -22.77 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.313 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.476 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 15.6 p -67.39 -39.44 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 73.109999999999999 109.934 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' SER . 44.8 mt-10 -85.64 -53.4 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 74.430000000000007 110.233 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.642 HG23 HG22 ' A' ' 93' ' ' THR . 3.2 t -42.86 -32.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 73.030000000000001 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 5.5 t80 -78.73 -50.33 11.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.420000000000002 110.965 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.66 -4.73 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 m -109.56 -5.93 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 63.149999999999999 109.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.535 ' HB2' HD21 ' A' ' 109' ' ' LEU . 33.9 mm-40 -127.44 -59.25 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 75.099999999999994 110.279 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 1.7 ppt_? -38.47 155.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 73.510000000000005 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.14 -177.22 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 52.109999999999999 109.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -50.19 -23.18 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.25 110.254 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.889 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -59.65 -47.23 86.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 72.310000000000002 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 99.46 13.07 39.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 33.439999999999998 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.2 OUTLIER -120.31 128.67 53.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 73.310000000000002 111.012 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.0 mt -80.7 143.35 33.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 71.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.646 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 97.1 m-85 -121.27 107.7 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 75.439999999999998 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.878 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.5 mtt -128.69 138.91 52.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 64.010000000000005 111.04 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -114.86 121.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 2.5 p90 -105.26 154.96 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 73.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -176.82 178.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 24.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 t -87.73 34.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 63.340000000000003 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.606 ' NE2' ' CE2' ' A' ' 38' ' ' TYR . 7.5 pt20 -150.36 124.95 9.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 70.450000000000003 110.338 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.521 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 9.8 tt0 -107.86 -7.05 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 54.409999999999997 110.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.9 p -138.39 74.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 61.450000000000003 110.359 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -97.25 -31.11 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.129999999999995 111.012 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.408 1.068 . . . . 75.540000000000006 110.993 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.513 0.197 . . . . 62.229999999999997 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 2.6 p -95.47 170.82 9.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 65.519999999999996 109.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -94.33 -68.69 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 43.009999999999998 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 56.75 47.05 88.56 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.83 . . . . 53.43 111.024 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -108.49 58.01 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.776 . . . . 71.129999999999995 109.327 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 336' ' ' ASP . . . . . 0.524 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 20.4 p-10 -68.83 -18.72 64.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 73.319999999999993 109.29 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -158.38 132.31 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 74.409999999999997 109.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.746 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 7.1 m0 -71.79 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.01 -1.108 . . . . 73.140000000000001 108.01 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 1.3 m -91.27 155.31 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 75.25 110.389 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 340' ' ' HIS . . . . . 0.416 ' C ' HD22 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -102.28 126.95 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 75.310000000000002 109.636 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.987 HD13 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -97.8 84.24 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 73.230000000000004 109.308 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.455 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.8 OUTLIER -89.6 123.49 33.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 62.219999999999999 109.945 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.464 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.0 OUTLIER -86.26 12.6 9.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 53.030000000000001 110.0 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.455 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -98.19 -32.09 11.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 71.409999999999997 109.313 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.84 -0.72 44.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 61.520000000000003 110.269 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.51 ' CG1' HD13 ' A' ' 66' ' ' ILE . 2.7 m -86.51 -165.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 73.120000000000005 109.386 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 347' ' ' ASP . . . . . 0.591 ' HB3' HH21 ' A' ' 69' ' ' ARG . 2.9 t0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 64.450000000000003 109.296 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.401 ' C ' ' SD ' ' A' ' 1' ' ' MET . 95.3 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.003 -0.369 . . . . 54.43 110.003 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 0' ' ' SER . 1.3 mpt? 44.45 95.65 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 74.030000000000001 111.025 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 86.49 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 72.219999999999999 111.056 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -160.57 -178.83 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 60.340000000000003 110.021 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.96 154.46 48.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 71.450000000000003 110.303 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HD2' ' CB ' ' A' ' 9' ' ' GLN . 25.3 mmtm -53.44 -173.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 65.129999999999995 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' ARG . 4.8 p -123.27 155.21 37.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 52.200000000000003 110.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.777 ' CE1' ' CD1' ' A' ' 110' ' ' TYR . 8.0 p90 -45.37 -25.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 110.982 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 3.3 ptmm? -77.03 -42.17 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 109.28 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.0 mm100 -90.16 -66.41 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 60.229999999999997 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' THR . 43.0 tpt85 -45.24 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 63.539999999999999 110.286 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -62.01 150.21 38.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 70.400000000000006 110.264 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.66 133.89 37.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 61.509999999999998 110.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.779 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.9 t80 -59.6 -39.29 83.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 71.109999999999999 111.04 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 25.9 mt-10 -69.41 -12.87 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 72.439999999999998 110.273 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -84.86 -50.16 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 75.040000000000006 110.301 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' NH1' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -63.49 -48.64 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.347 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 106' ' ' ASP . 8.4 p -60.49 -23.6 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 72.239999999999995 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -85.74 -17.79 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 74.549999999999997 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.72 -45.52 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 51.310000000000002 109.285 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.883 HG11 ' O ' ' A' ' 107' ' ' GLY . 35.3 m -58.46 -50.21 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 71.230000000000004 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 20' ' ' VAL . 33.1 ttt180 -35.4 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 73.349999999999994 110.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' VAL . 1.8 mt -64.73 -58.09 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 64.329999999999998 109.272 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.797 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -61.77 -22.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 109.33 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -70.25 -28.0 64.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.27 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.97 -25.79 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.367 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.58 -54.81 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 110.3 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 19.0 m-70 -117.22 79.84 11.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.540000000000006 109.616 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.72 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 74.040000000000006 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 p -88.76 30.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 110.338 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -137.95 156.3 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 74.25 109.225 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' A' ' 99' ' ' TYR . 9.6 mm -109.42 117.79 52.18 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 63.340000000000003 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.6 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -74.98 135.26 18.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 60.009999999999998 110.977 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' HB ' ' HE3' ' A' ' 111' ' ' MET . 2.1 m -143.63 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 41.310000000000002 109.257 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.668 HG23 HG22 ' A' ' 50' ' ' THR . 3.1 mm -124.75 95.75 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 63.119999999999997 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.43 HD13 HD11 ' A' ' 67' ' ' ILE . 21.8 mt -95.45 121.51 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 64.400000000000006 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.595 ' OE1' ' CE2' ' A' ' 7' ' ' PHE . 1.5 mp0 -129.28 179.07 5.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 73.349999999999994 110.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -87.22 139.36 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 73.239999999999995 110.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.14 143.1 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 54.109999999999999 111.016 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 14.3 ptmt -55.65 91.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 73.549999999999997 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' TYR . . . 112.7 21.58 6.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 74.450000000000003 110.99 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -87.15 108.59 18.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 62.140000000000001 110.275 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -112.41 -31.11 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 64.400000000000006 109.256 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 3.8 mm-40 -53.58 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 65.430000000000007 110.389 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 71' ' ' LEU . 2.0 mm? -56.21 145.31 57.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 74.319999999999993 109.302 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.65 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.99 175.48 11.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 72.019999999999996 110.949 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -76.19 109.55 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 71.25 109.251 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD22 HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -40.46 146.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 70.209999999999994 109.276 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.57 ' H ' HD13 ' A' ' 47' ' ' LEU . 4.0 m-20 -42.29 -35.27 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 65.120000000000005 109.229 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HD3' HH21 ' A' ' 70' ' ' ARG . 0.0 OUTLIER -165.52 -166.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 64.030000000000001 109.33 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.668 HG22 HG23 ' A' ' 34' ' ' ILE . 4.2 m -113.15 -22.09 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.230000000000004 110.407 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 5.1 mtmm -95.77 128.86 43.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 74.5 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.618 ' HA ' HG22 ' B' ' 339' ' ' THR . 84.3 m-85 -140.37 133.58 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 64.540000000000006 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.556 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 5.9 mt -98.01 103.29 15.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 70.040000000000006 109.326 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.728 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -90.07 142.39 28.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 54.109999999999999 109.26 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.61 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 127.75 10.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 72.209999999999994 110.93 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -78.12 1.88 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 73.209999999999994 109.386 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' CD2' HG12 ' A' ' 58' ' ' VAL . 8.9 p-80 -95.57 -11.64 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 109.586 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 57' ' ' HIS . 1.6 m -112.83 -173.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 63.399999999999999 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -109.19 172.48 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 54.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.683 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -61.45 -25.72 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.030000000000001 111.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.664 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -57.19 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 60.520000000000003 110.04 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 4.8 mt-10 -42.06 -52.39 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 65.319999999999993 110.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.601 HD12 HG12 ' A' ' 67' ' ' ILE . 3.0 tp -42.81 -42.65 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 75.349999999999994 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.07 -58.42 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 62.299999999999997 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 45.6 mttt -54.81 -36.42 64.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 65.209999999999994 109.36 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.576 HG12 HG12 ' B' ' 346' ' ' VAL . 12.7 mt -69.5 -32.38 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 63.229999999999997 109.252 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.3 mm -73.36 -67.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 74.109999999999999 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.692 HH21 ' HB3' ' B' ' 347' ' ' ASP . 25.6 ptt180 -41.78 -42.07 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 75.109999999999999 110.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -42.62 98.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 73.230000000000004 110.268 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.559 HH21 ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -61.79 -41.15 97.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 71.150000000000006 110.28 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.691 HD21 HD22 ' A' ' 47' ' ' LEU . 40.1 mt -73.53 -13.91 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 72.230000000000004 109.31 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 40.39 49.49 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 73.519999999999996 110.288 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.888 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.2 mt -84.25 -176.25 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 60.030000000000001 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.444 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 25.2 m-20 -117.0 -174.87 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 74.200000000000003 109.304 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.96 60.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 44.43 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' HB2' ' A' ' 74' ' ' ASN . 14.3 p30 -74.84 -28.32 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 109.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.888 ' HG2' HD22 ' A' ' 73' ' ' LEU . 5.3 tp-100 -92.6 118.98 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.299999999999997 110.251 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.81 137.8 31.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 75.299999999999997 109.291 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -135.71 133.31 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.540000000000006 111.033 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.538 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.8 m-85 -143.35 125.12 15.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 53.43 110.998 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -91.58 115.1 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 70.099999999999994 109.273 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 116' ' ' GLN . 3.1 mm? -90.29 106.99 18.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.344 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.676 HG21 ' CE ' ' A' ' 60' ' ' MET . 3.1 t -77.7 111.32 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 75.329999999999998 109.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.412 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 1.8 m-20 67.2 9.76 7.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.256 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 10.45 37.36 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.472 1.108 . . . . 61.149999999999999 111.001 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.642 ' CE1' HG12 ' A' ' 83' ' ' VAL . 23.6 p80 -130.62 139.64 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.591 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.0 OUTLIER -58.05 172.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 72.540000000000006 110.032 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.483 ' O ' HG12 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -130.83 30.41 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 110.991 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.458 ' CG2' ' OE1' ' A' ' 117' ' ' GLU . 89.7 t -56.15 -18.5 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 72.209999999999994 109.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' SER . 32.5 t -104.72 27.12 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 43.149999999999999 110.041 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.683 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -45.61 94.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.3 OUTLIER -129.37 9.1 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.420000000000002 110.003 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.73 HG22 HG23 ' A' ' 98' ' ' VAL . 15.8 m -124.8 145.23 49.13 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 72.010000000000005 110.44 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 140.91 26.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.759 . . . . 74.200000000000003 111.046 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.728 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -49.89 -22.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.510000000000005 109.364 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' OD1' ' A' ' 56' ' ' ASP . 61.8 p -68.82 -39.96 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 73.109999999999999 109.976 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 101' ' ' SER . 20.6 mm-40 -86.4 -53.46 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 74.430000000000007 110.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 93' ' ' THR . 3.3 t -41.9 -29.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 73.030000000000001 109.256 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HB2' HG21 ' A' ' 31' ' ' ILE . 30.3 t80 -76.58 -57.66 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.420000000000002 110.975 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -70.71 -4.36 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 110.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -108.73 -5.0 16.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 63.149999999999999 109.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.594 ' HB2' HD21 ' A' ' 109' ' ' LEU . 7.3 mm-40 -130.25 -58.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 75.099999999999994 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.62 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 73.510000000000005 110.305 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.448 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -92.82 169.39 10.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 52.109999999999999 109.282 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -44.2 -41.33 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.427 1.079 . . . . 74.25 110.246 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.954 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.7 p-10 -40.65 -44.67 2.2 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 72.310000000000002 109.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.883 ' O ' HG11 ' A' ' 20' ' ' VAL . . . 100.67 44.1 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 33.439999999999998 110.943 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -149.81 131.87 15.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.782 . . . . 73.310000000000002 110.997 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.601 HD13 ' HE3' ' A' ' 111' ' ' MET . 2.3 mt -79.49 148.71 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 71.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.777 ' CD1' ' CE1' ' A' ' 7' ' ' PHE . 76.6 m-85 -135.05 106.8 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 110.991 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.601 ' HE3' HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -128.39 144.01 51.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 64.010000000000005 110.977 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -109.59 135.62 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 73.329999999999998 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.6 p90 -113.98 142.49 46.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 73.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -161.51 178.44 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 24.0 109.247 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.451 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -90.48 30.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 63.340000000000003 110.023 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.523 ' O ' HD21 ' A' ' 82' ' ' LEU . 4.8 mt-30 -149.24 137.71 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 70.450000000000003 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 2.4 tt0 -119.39 -7.02 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 54.409999999999997 110.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.3 p -120.59 6.81 10.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 61.450000000000003 110.403 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 120' ' ' GLY . 24.9 p90 -37.74 -42.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.129999999999995 110.973 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.514 1.134 . . . . 75.540000000000006 111.003 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.515 0.197 . . . . 62.229999999999997 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 53.7 p -118.11 88.85 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 65.519999999999996 109.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 98.22 154.5 29.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 43.009999999999998 110.95 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -62.72 -73.13 0.56 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.984 -0.847 . . . . 53.43 110.984 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -83.86 66.11 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 71.129999999999995 109.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -55.07 -52.23 63.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 73.319999999999993 109.339 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ASP . . . . . 0.423 ' N ' ' OD2' ' B' ' 337' ' ' ASP . 0.2 OUTLIER -143.18 160.68 39.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 109.288 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.797 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -96.63 -154.39 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 108.024 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -91.01 155.17 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.25 110.418 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 340' ' ' HIS . . . . . 0.45 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -104.25 126.56 51.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 75.310000000000002 109.57 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.556 ' HB3' HG21 ' A' ' 66' ' ' ILE . 4.7 mt -107.43 106.0 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.230000000000004 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 25.7 m -109.32 164.06 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 62.219999999999999 109.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.794 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.9 p -90.98 -8.52 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 53.030000000000001 110.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.473 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.9 -22.66 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.409999999999997 109.249 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -85.75 -6.42 59.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 61.520000000000003 110.286 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.794 HG22 ' O ' ' B' ' 343' ' ' SER . 17.2 m -63.5 -175.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 73.120000000000005 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 347' ' ' ASP . . . . . 0.692 ' HB3' HH21 ' A' ' 68' ' ' ARG . 7.7 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 64.450000000000003 109.331 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.994 -0.372 . . . . 54.43 109.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.68 94.17 39.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 74.030000000000001 110.953 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -169.3 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 72.219999999999999 110.948 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -79.53 -176.89 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 60.340000000000003 109.981 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -87.88 158.11 18.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 71.450000000000003 110.26 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -71.08 160.18 33.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.162 . . . . 65.129999999999995 109.28 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' LYS . 13.9 p -92.42 145.4 24.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 52.200000000000003 110.428 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 36' ' ' GLU . 96.9 m-85 -38.04 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.544 1.153 . . . . 75.299999999999997 110.943 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' THR . 13.8 ptpt -76.38 -53.35 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.230000000000004 109.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' THR . 5.3 mm100 -69.11 -65.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 60.229999999999997 110.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -38.64 -70.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 63.539999999999999 110.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.03 119.57 17.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 70.400000000000006 110.253 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.22 129.58 28.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 61.509999999999998 109.943 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.019 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -46.42 -62.55 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 111.053 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 17' ' ' VAL . 1.5 pt-20 -52.14 -21.07 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 72.439999999999998 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -85.28 -28.88 25.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 75.040000000000006 110.312 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.725 ' NH2' HG21 ' A' ' 34' ' ' ILE . 7.4 ttt180 -89.28 -21.61 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 73.109999999999999 110.341 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.019 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.1 m -75.63 -37.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 72.239999999999995 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -52.91 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 74.549999999999997 110.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.81 -53.12 6.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 51.310000000000002 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.833 HG23 ' CE2' ' A' ' 108' ' ' PHE . 2.3 t -47.34 -45.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 71.230000000000004 109.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -44.36 -38.24 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 73.349999999999994 110.334 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.0 mt -71.4 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.775 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -48.99 -25.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 73.030000000000001 109.252 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.427 HH21 ' HB3' ' A' ' 28' ' ' PRO . 7.6 mmm-85 -77.3 -35.93 54.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 74.040000000000006 110.262 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -89.83 -12.06 40.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 75.540000000000006 110.344 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 47.6 mt-30 -108.95 -20.59 12.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 30.4 m80 -158.92 74.07 3.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.540000000000006 109.587 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HB3' HH21 ' A' ' 24' ' ' ARG . 18.5 Cg_endo -74.97 -28.47 9.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.566 1.824 . . . . 74.040000000000006 111.015 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -89.31 20.4 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.209999999999994 110.378 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 24.4 mmtt -127.57 148.28 50.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 74.25 109.37 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.634 HG23 ' CD2' ' A' ' 99' ' ' TYR . 17.8 mm -97.95 114.92 65.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 63.340000000000003 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 137.48 21.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 60.009999999999998 110.982 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.04 161.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 41.310000000000002 109.352 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.725 HG21 ' NH2' ' A' ' 16' ' ' ARG . 5.3 mm -135.11 95.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 63.119999999999997 109.329 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 50' ' ' THR . 14.8 mt -92.9 126.37 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.56 ' HG2' ' CD1' ' A' ' 7' ' ' PHE . 4.7 mp0 -123.4 173.1 8.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 73.349999999999994 110.27 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -83.55 133.24 34.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.239999999999995 110.251 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -57.62 137.88 55.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 54.109999999999999 110.985 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 15.1 ptmt -60.04 96.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 73.549999999999997 109.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.07 19.61 8.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 8.6 tp10 -111.67 105.18 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 62.140000000000001 110.232 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -33.85 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 64.400000000000006 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -38.69 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 65.430000000000007 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD11 ' CA ' ' A' ' 115' ' ' SER . 5.8 mt -54.79 151.7 14.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.319999999999993 109.328 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 72.019999999999996 111.068 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.5 113.85 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 71.25 109.305 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.52 146.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 70.209999999999994 109.315 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.581 ' H ' HD13 ' A' ' 47' ' ' LEU . 9.1 t0 -47.94 -37.68 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HZ3' ' CG ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -154.54 -175.28 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 64.030000000000001 109.291 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 35' ' ' ILE . 11.8 m -114.09 -16.82 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 64.230000000000004 110.384 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 16.1 mtmm -102.73 131.26 49.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.5 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.68 ' HA ' HG22 ' B' ' 339' ' ' THR . 34.6 m-85 -140.5 143.3 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 64.540000000000006 110.976 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.532 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 9.9 mt -106.54 104.59 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 70.040000000000006 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.694 HG11 HD13 ' A' ' 95' ' ' ILE . 2.7 t -87.36 141.1 32.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 54.109999999999999 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.51 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 18.5 Cg_endo -75.0 128.85 11.81 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.415 1.745 . . . . 72.209999999999994 111.019 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -83.4 51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 73.209999999999994 109.321 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.4 p80 -155.95 25.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.655 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.25 -159.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 63.399999999999999 109.342 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -122.55 152.15 40.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 54.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.622 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -43.64 -25.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.030000000000001 110.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.662 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.64 -56.94 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 60.520000000000003 110.026 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' ' 62' ' ' GLU . 10.2 mm-40 -41.99 -49.23 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 65.319999999999993 110.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.467 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -44.11 -47.07 8.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 75.349999999999994 109.312 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 64' ' ' ILE . 4.9 mm -60.92 -50.29 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 62.299999999999997 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -49.67 -38.08 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 65.209999999999994 109.301 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.951 HG21 HD13 ' B' ' 341' ' ' LEU . 2.7 mm -71.36 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 63.229999999999997 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.743 HD11 HD13 ' A' ' 35' ' ' ILE . 20.6 mm -41.7 -68.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.109999999999999 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 11.3 ptm180 -43.99 -44.15 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 110.362 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HG3' HG12 ' B' ' 346' ' ' VAL . 0.8 OUTLIER -61.27 -35.86 78.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 73.230000000000004 110.235 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.2 mmp_? -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 71.150000000000006 110.277 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.46 -13.71 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.230000000000004 109.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 41.14 45.14 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 73.519999999999996 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.862 HD22 ' HG2' ' A' ' 77' ' ' GLN . 4.6 mt -77.0 -176.09 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 60.030000000000001 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.96 -174.94 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 74.200000000000003 109.26 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.92 58.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 44.43 109.316 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.13 -24.62 24.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.294 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.862 ' HG2' HD22 ' A' ' 73' ' ' LEU . 5.4 tp-100 -87.74 120.6 29.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 75.299999999999997 110.404 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 115' ' ' SER . . . -88.41 139.41 30.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 75.299999999999997 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.697 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.1 t80 -139.94 134.63 31.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 75.540000000000006 111.02 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.5 m-85 -143.38 128.74 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 53.43 111.026 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -94.03 109.62 21.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 70.099999999999994 109.253 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.515 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.8 mm? -84.07 111.84 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 74.120000000000005 109.3 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.846 HG22 ' SD ' ' A' ' 111' ' ' MET . 18.3 t -81.42 111.66 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 75.329999999999998 109.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 0.6 OUTLIER 66.36 11.25 7.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.329999999999998 109.351 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.39 8.02 41.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 61.149999999999999 110.946 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.604 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.4 p80 -128.42 130.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 0.806 . . . . 74.019999999999996 109.581 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.471 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.62 172.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 72.540000000000006 110.001 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.448 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -121.97 39.59 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 73.310000000000002 110.99 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.616 HG22 ' OE2' ' A' ' 117' ' ' GLU . 20.9 t -39.53 -30.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 72.209999999999994 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' MET . 11.8 p -116.15 102.45 9.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 43.149999999999999 110.08 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.662 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -106.91 88.46 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 73.430000000000007 109.266 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -125.94 14.34 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 110.047 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.711 HG22 HG23 ' A' ' 98' ' ' VAL . 27.9 m -124.66 144.33 46.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 72.010000000000005 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.94 141.18 26.51 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 111.04 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.694 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -51.68 -22.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 74.510000000000005 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -69.26 -37.9 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 73.109999999999999 109.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' GLU . 29.8 mm-40 -86.54 -51.99 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 110.23 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.711 HG23 HG22 ' A' ' 93' ' ' THR . 23.7 t -44.88 -34.73 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.030000000000001 109.334 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.748 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -81.19 -34.07 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 pt-20 -79.04 -3.98 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -116.74 1.78 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 63.149999999999999 109.925 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 103' ' ' ARG . 5.7 mm-40 -130.24 -50.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 75.099999999999994 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.5 ppt_? -36.67 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 73.510000000000005 110.305 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.73 -175.68 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 52.109999999999999 109.267 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -39.53 -56.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 74.25 110.318 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.861 ' HB3' HG12 ' A' ' 17' ' ' VAL . 19.2 p-10 -47.14 -46.45 23.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 100.69 21.76 12.07 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.54 1.15 . . . . 33.439999999999998 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.833 ' CE2' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -111.0 131.03 55.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 0.827 . . . . 73.310000000000002 111.047 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.748 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.74 133.54 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 71.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 91.8 m-85 -114.86 107.26 15.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 75.439999999999998 111.041 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.846 ' SD ' HG22 ' A' ' 83' ' ' VAL . 2.7 mtt -134.64 146.29 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 64.010000000000005 110.981 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.8 t -115.06 142.82 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 73.329999999999998 109.318 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.534 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.5 p90 -115.97 152.78 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 73.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.95 178.05 9.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 24.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.542 ' CA ' HD11 ' A' ' 44' ' ' LEU . 27.5 t -92.13 20.23 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 63.340000000000003 109.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -150.23 150.2 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 70.450000000000003 110.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.616 ' OE2' HG22 ' A' ' 89' ' ' VAL . 2.6 tt0 -124.33 -1.66 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 54.409999999999997 110.321 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.4 p -134.85 54.3 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 61.450000000000003 110.322 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -97.59 -22.07 16.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.129999999999995 110.971 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.523 1.139 . . . . 75.540000000000006 111.005 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.517 0.198 . . . . 62.229999999999997 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 11.5 t -50.09 -35.29 24.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 65.519999999999996 109.994 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 158.17 65.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 43.009999999999998 111.048 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 153.11 174.65 23.69 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.025 -0.83 . . . . 53.43 111.025 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.447 ' OD1' ' CE ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -101.3 76.66 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 71.129999999999995 109.389 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 336' ' ' ASP . . . . . 0.404 ' O ' ' OE1' ' A' ' 26' ' ' GLN . 11.0 t70 -40.91 -69.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.319999999999993 109.344 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ASP . . . . . 0.401 ' N ' ' OD2' ' B' ' 337' ' ' ASP . 13.3 p-10 -139.81 136.61 34.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 74.409999999999997 109.309 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.775 ' NE1' HD13 ' A' ' 23' ' ' ILE . 19.3 m0 -68.24 -77.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.140000000000001 107.966 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -160.66 -177.22 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 75.25 110.402 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 340' ' ' HIS . . . . . 0.542 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -130.45 113.98 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 75.310000000000002 109.552 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.951 HD13 HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -86.56 85.99 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 73.230000000000004 109.342 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.447 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -91.41 124.19 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 62.219999999999999 110.018 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.848 ' O ' HG22 ' B' ' 346' ' ' VAL . 1.3 p -82.02 0.03 42.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 53.030000000000001 109.997 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.1 -35.47 20.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 71.409999999999997 109.246 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.69 -4.09 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 61.520000000000003 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.848 HG22 ' O ' ' B' ' 343' ' ' SER . 2.7 m -99.63 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 73.120000000000005 109.339 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 64.450000000000003 109.362 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.001 -0.37 . . . . 54.43 110.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.08 165.36 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 74.030000000000001 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -59.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 72.219999999999999 111.066 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -39.99 158.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 60.340000000000003 110.066 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LYS . 6.9 pt-20 -124.81 159.06 31.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.450000000000003 110.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' GLU . 15.4 mtpt -53.38 -173.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 65.129999999999995 109.251 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.78 HG22 ' HD3' ' A' ' 39' ' ' LYS . 65.2 p -121.93 155.05 36.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 52.200000000000003 110.407 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 55.8 m-85 -45.4 -24.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 75.299999999999997 111.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 16.8 ptpt -77.49 -41.88 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 74.230000000000004 109.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' THR . 65.8 mt-30 -88.64 -63.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 60.229999999999997 110.326 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.2 tpt85 -38.87 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 63.539999999999999 110.268 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.1 137.58 58.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 70.400000000000006 110.332 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 15' ' ' GLN . 52.3 m -64.81 116.82 6.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.476 1.11 . . . . 61.509999999999998 109.934 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.987 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.4 t80 -41.43 -58.52 1.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 71.109999999999999 110.993 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.63 -34.41 26.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' SER . 5.4 tp-100 -75.01 -36.93 61.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 75.040000000000006 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -16.16 59.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 73.109999999999999 110.261 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 13' ' ' PHE . 46.0 t -79.37 -60.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 72.239999999999995 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.98 -31.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.549999999999997 110.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.486 ' OD1' ' CE ' ' A' ' 51' ' ' LYS . 4.4 t0 -57.41 -65.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 51.310000000000002 109.308 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.6 -46.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 71.230000000000004 109.282 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -44.64 -37.33 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 73.349999999999994 110.337 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.5 mt -63.56 -65.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 64.329999999999998 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.878 HG12 HD21 ' A' ' 53' ' ' LEU . 1.3 mp -57.64 -17.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 73.030000000000001 109.294 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -78.4 -33.76 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 74.040000000000006 110.289 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.98 -9.76 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 75.540000000000006 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' LEU . 34.6 mt-30 -107.45 -46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.230000000000004 110.238 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ILE . 28.7 m-70 -124.85 74.23 64.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.540000000000006 109.601 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.11 11.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 74.040000000000006 111.02 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -87.99 17.17 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.209999999999994 110.354 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -131.16 163.79 26.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 74.25 109.299 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.625 HG23 ' CG ' ' A' ' 99' ' ' TYR . 22.7 mm -111.17 116.91 50.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 63.340000000000003 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.53 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.02 139.97 24.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 60.009999999999998 110.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -146.06 162.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 41.310000000000002 109.249 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.613 HG22 ' OE2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -130.65 112.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 63.119999999999997 109.269 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 50' ' ' THR . 1.7 mm -106.57 134.87 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 64.400000000000006 109.263 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.613 ' OE2' HG22 ' A' ' 34' ' ' ILE . 1.8 pm0 -154.32 158.14 39.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 73.349999999999994 110.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -66.43 149.71 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 73.239999999999995 110.308 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -67.11 141.26 57.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 54.109999999999999 111.038 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.78 ' HD3' HG22 ' A' ' 6' ' ' THR . 23.5 mtmt -57.41 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 73.549999999999997 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.64 6.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 74.450000000000003 110.961 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 9.4 tp10 -111.66 103.89 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 62.140000000000001 110.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -110.98 -28.6 8.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.400000000000006 109.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.0 mm-40 -38.84 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 65.430000000000007 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.94 157.04 6.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 74.319999999999993 109.267 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 166.48 29.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 72.019999999999996 110.976 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.03 135.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 71.25 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.545 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -65.75 140.81 58.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 70.209999999999994 109.301 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.545 ' H ' HD13 ' A' ' 47' ' ' LEU . 29.1 t0 -44.29 -46.19 9.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 65.120000000000005 109.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -144.8 -176.44 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 64.030000000000001 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 35' ' ' ILE . 27.7 m -116.99 -10.08 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 64.230000000000004 110.404 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 12.2 mtmm -113.26 132.62 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 74.5 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.797 ' HB3' HD11 ' B' ' 341' ' ' LEU . 24.1 m-85 -137.13 149.6 47.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 64.540000000000006 110.984 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.878 HD21 HG12 ' A' ' 23' ' ' ILE . 36.9 mt -116.64 104.01 10.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 70.040000000000006 109.331 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.854 HG11 HD13 ' A' ' 95' ' ' ILE . 2.6 t -88.43 141.58 30.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 54.109999999999999 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.545 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.99 124.67 8.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 72.209999999999994 111.04 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 19.2 p-10 -76.43 57.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.209999999999994 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.8 p-80 -163.28 29.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 109.624 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 m -147.63 -158.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 63.399999999999999 109.255 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -119.07 154.76 32.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 54.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.554 ' CE ' HG21 ' A' ' 83' ' ' VAL . 1.5 ppp? -52.71 -21.96 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 72.030000000000001 110.976 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -61.7 -35.12 77.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 60.520000000000003 110.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.61 -50.59 69.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 65.319999999999993 110.327 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 67' ' ' ILE . 6.7 tp -53.57 -36.35 61.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.349999999999994 109.26 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.13 -32.71 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 62.299999999999997 109.308 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -79.2 -39.94 32.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 65.209999999999994 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.84 HG21 ' HB3' ' B' ' 341' ' ' LEU . 11.9 mm -65.7 -30.53 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.229999999999997 109.247 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.602 HG12 HD12 ' A' ' 63' ' ' LEU . 9.6 mm -72.51 -69.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.109999999999999 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.568 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -41.52 -36.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 75.109999999999999 110.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 69' ' ' ARG . 4.5 mmm180 -58.17 -46.68 85.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 110.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' CD ' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.53 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 71.150000000000006 110.338 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.478 ' HB3' HD21 ' A' ' 73' ' ' LEU . 8.3 mt -60.39 -16.97 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 72.230000000000004 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' LEU . 23.3 pt20 38.57 47.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 73.519999999999996 110.346 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.779 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -83.96 -178.3 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 60.030000000000001 109.304 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 4.4 m120 -129.92 -175.02 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 74.200000000000003 109.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.93 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 44.43 109.346 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -51.55 -40.22 59.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.316 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.779 ' HG2' HD22 ' A' ' 73' ' ' LEU . 6.8 tp-100 -91.68 138.01 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 75.299999999999997 110.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.63 127.65 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 75.299999999999997 109.318 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 68' ' ' ARG . 1.1 t80 -116.6 134.55 54.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.540000000000006 110.975 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 117' ' ' GLU . 5.9 m-85 -143.41 121.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 53.43 110.994 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD11 HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -92.5 135.94 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 70.099999999999994 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 81' ' ' LEU . 1.8 mm? -116.3 104.87 11.93 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 74.120000000000005 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.585 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 3.2 t -73.16 108.91 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 75.329999999999998 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.34 24.04 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 73.329999999999998 109.234 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.79 7.83 77.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 61.149999999999999 110.99 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 11.5 p80 -130.22 139.69 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 74.019999999999996 109.584 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.421 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.0 OUTLIER -57.47 172.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 72.540000000000006 110.113 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.41 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -120.06 19.34 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 73.310000000000002 111.069 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 90' ' ' SER . 7.1 p -40.56 120.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 72.209999999999994 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.5 OUTLIER 84.34 44.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 43.149999999999999 110.031 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.587 HG13 ' H ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -37.88 -77.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 73.430000000000007 109.3 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.587 ' H ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER 38.23 30.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 74.420000000000002 109.964 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.691 HG22 HG23 ' A' ' 98' ' ' VAL . 88.1 m -142.11 139.36 17.86 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 72.010000000000005 110.424 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.451 ' HG2' ' CG ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 137.95 22.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.464 1.771 . . . . 74.200000000000003 110.986 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.854 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -53.84 -20.69 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 74.510000000000005 109.279 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.0 p -70.7 -37.93 73.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 73.109999999999999 109.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.451 ' CG ' ' HG2' ' A' ' 94' ' ' PRO . 54.3 mm-40 -85.56 -47.47 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 74.430000000000007 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.691 HG23 HG22 ' A' ' 93' ' ' THR . 7.9 t -52.72 -30.46 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.030000000000001 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.751 ' CD2' HD23 ' A' ' 109' ' ' LEU . 5.0 t80 -82.16 -38.1 25.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.420000000000002 110.985 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -83.41 -3.94 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.239999999999995 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.2 m -112.32 5.83 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 63.149999999999999 110.062 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 109' ' ' LEU . 17.3 mm-40 -135.34 -46.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 75.099999999999994 110.328 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.0 ppt_? -37.29 147.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 73.510000000000005 110.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.81 -174.91 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 52.109999999999999 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.96 -47.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 74.25 110.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 8.4 p-10 -49.66 -48.61 49.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 72.310000000000002 109.329 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.668 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 98.83 12.45 43.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 33.439999999999998 110.97 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -114.34 134.34 55.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 73.310000000000002 111.041 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.751 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -77.88 135.58 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 71.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.453 ' CE2' ' OD1' ' A' ' 106' ' ' ASP . 89.5 m-85 -112.78 120.91 43.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 111.004 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.499 ' SD ' HD21 ' A' ' 63' ' ' LEU . 4.2 mtt -130.96 150.29 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 64.010000000000005 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.518 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.9 t -135.27 119.68 26.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 4.1 p90 -100.82 153.25 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -166.96 179.03 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 24.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.2 t -87.66 20.43 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 63.340000000000003 109.985 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.567 ' HB3' ' CD1' ' A' ' 119' ' ' PHE . 3.4 mt-30 -149.85 136.43 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.450000000000003 110.248 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 5.2 tt0 -120.7 -5.85 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 54.409999999999997 110.348 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.3 p -110.31 -26.5 9.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 61.450000000000003 110.365 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 116' ' ' GLN . 0.4 OUTLIER -54.76 -24.73 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 110.958 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.497 ' N ' ' CD1' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 111.017 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 12.1 ptt? . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.424 0.154 . . . . 62.229999999999997 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 27.3 t -99.47 106.41 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 65.519999999999996 109.978 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -130.11 8.52 6.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 43.009999999999998 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.47 -165.35 32.4 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.997 -0.841 . . . . 53.43 110.997 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.78 58.9 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 71.129999999999995 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -48.39 -56.76 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 73.319999999999993 109.277 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -141.84 112.47 7.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 109.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.835 ' CE2' HD13 ' A' ' 23' ' ' ILE . 16.5 m0 -46.87 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.140000000000001 108.055 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 179.33 124.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 75.25 110.4 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -79.46 118.35 21.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 75.310000000000002 109.583 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.84 ' HB3' HG21 ' A' ' 66' ' ' ILE . 3.6 mt -81.5 116.16 21.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.230000000000004 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -108.55 127.38 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 62.219999999999999 110.002 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.35 11.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 53.030000000000001 109.99 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -23.01 13.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 71.409999999999997 109.319 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.84 -0.6 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.520000000000003 110.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.557 ' CG1' HD13 ' A' ' 66' ' ' ILE . 4.4 m -76.85 -179.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 73.120000000000005 109.284 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 64.450000000000003 109.306 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.01 -0.367 . . . . 54.43 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.8 pmm? -42.18 156.97 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 74.030000000000001 110.992 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -89.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.467 1.772 . . . . 72.219999999999999 111.054 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -66.7 165.68 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 60.340000000000003 110.02 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CD ' HH21 ' A' ' 37' ' ' ARG . 11.3 pt-20 -89.58 150.81 22.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.602 1.189 . . . . 71.450000000000003 110.239 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 10' ' ' ARG . 35.2 mmtm -53.97 168.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 65.129999999999995 109.281 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.3 p -109.63 151.06 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 52.200000000000003 110.412 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 50' ' ' THR . 22.0 m-85 -47.79 -23.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 75.299999999999997 110.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -37.74 45.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 74.230000000000004 109.353 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.5 mm-40 -95.47 -66.09 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 60.229999999999997 110.334 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HB2' ' CB ' ' A' ' 5' ' ' LYS . 28.8 tpt180 -38.67 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 63.539999999999999 110.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -50.31 137.53 18.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 70.400000000000006 110.257 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -72.83 128.81 36.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 61.509999999999998 109.944 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.015 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.1 t80 -44.67 -63.98 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 71.109999999999999 110.963 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' VAL . 23.3 mm-40 -53.06 -19.18 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 72.439999999999998 110.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.9 OUTLIER -85.39 -29.28 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 75.040000000000006 110.301 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.737 HH21 HG13 ' A' ' 34' ' ' ILE . 15.1 mtp85 -90.42 -21.87 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 73.109999999999999 110.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.015 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.2 m -75.15 -39.0 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 72.239999999999995 109.333 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -64.58 -14.8 59.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.549999999999997 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.47 ' OD2' ' CE ' ' A' ' 51' ' ' LYS . 22.8 t0 -77.81 -59.1 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 51.310000000000002 109.272 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.991 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.32 -46.77 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 71.230000000000004 109.288 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 44.9 ttm-85 -38.29 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.349999999999994 110.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 2.7 mt -72.92 -64.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 64.329999999999998 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.913 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -53.29 -20.75 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 73.030000000000001 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.72 -36.06 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 74.040000000000006 110.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -8.81 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.540000000000006 110.287 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -103.45 -54.2 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 110.328 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' ND1' HD13 ' A' ' 53' ' ' LEU . 10.8 m-70 -117.75 80.23 13.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.540000000000006 109.618 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -28.24 9.43 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 74.040000000000006 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -89.73 23.98 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 72.209999999999994 110.39 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -135.76 163.14 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 74.25 109.282 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.617 HG23 ' CG ' ' A' ' 99' ' ' TYR . 6.6 mm -116.26 120.38 35.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 63.340000000000003 109.283 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.563 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.502 1.791 . . . . 60.009999999999998 110.978 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.35 155.13 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 41.310000000000002 109.28 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.737 HG13 HH21 ' A' ' 16' ' ' ARG . 16.1 mm -128.03 102.31 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 63.119999999999997 109.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.991 HD13 HD11 ' A' ' 67' ' ' ILE . 29.2 mt -98.78 126.72 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 64.400000000000006 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.618 ' HG2' HG23 ' A' ' 50' ' ' THR . 6.0 mm-40 -136.76 170.87 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 73.349999999999994 110.285 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.475 HH21 ' CD ' ' A' ' 4' ' ' GLU . 26.0 ptt180 -79.07 142.4 36.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 110.343 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.4 t80 -61.92 145.08 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 54.109999999999999 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.5 ptpp? -60.0 91.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 73.549999999999997 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.75 20.59 6.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 74.450000000000003 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.7 tp10 -111.08 103.91 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 62.140000000000001 110.282 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -111.91 -31.15 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 64.400000000000006 109.195 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.446 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 27.8 mm-40 -38.48 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 65.430000000000007 110.246 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.639 HD11 ' N ' ' A' ' 115' ' ' SER . 1.1 mp -55.99 156.52 9.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.347 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.489 ' HD2' HD13 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.06 165.2 31.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 72.019999999999996 110.992 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.2 t -81.68 122.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 71.25 109.288 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.815 HD22 HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -40.09 141.68 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 70.209999999999994 109.321 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.456 ' H ' HD13 ' A' ' 47' ' ' LEU . 13.8 t0 -41.94 -42.76 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 109.263 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -147.61 -167.59 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 64.030000000000001 109.299 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.678 HG21 ' CE2' ' A' ' 7' ' ' PHE . 1.8 m -114.36 -28.12 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 64.230000000000004 110.38 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 7.2 mtmm -96.45 129.71 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 74.5 109.287 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 60.1 m-85 -140.45 135.25 31.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 64.540000000000006 110.993 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.913 HD21 HG12 ' A' ' 23' ' ' ILE . 37.4 mt -103.0 103.28 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 70.040000000000006 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.775 HG11 HD13 ' A' ' 95' ' ' ILE . 1.9 t -86.03 142.8 36.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 54.109999999999999 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.656 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.03 132.82 15.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.559 1.82 . . . . 72.209999999999994 110.953 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.11 11.79 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.321 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.453 ' ND1' HG13 ' A' ' 58' ' ' VAL . 28.7 p80 -106.98 -1.45 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 109.598 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 55' ' ' PRO . 4.7 m -119.86 -161.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 63.399999999999999 109.352 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -123.2 171.43 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 54.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.627 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -61.0 -27.13 68.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 72.030000000000001 111.013 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.693 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -60.56 -57.82 11.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 60.520000000000003 110.074 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.84 -47.96 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 65.319999999999993 110.358 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.854 HD23 HD12 ' B' ' 341' ' ' LEU . 0.6 OUTLIER -48.91 -41.24 33.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 109.31 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.45 HD13 HD13 ' A' ' 63' ' ' LEU . 24.6 mm -54.9 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 62.299999999999997 109.291 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -44.69 -38.78 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 65.209999999999994 109.265 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.603 HG21 HD13 ' B' ' 341' ' ' LEU . 1.5 mm -62.76 -58.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 63.229999999999997 109.327 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.991 HD11 HD13 ' A' ' 35' ' ' ILE . 31.8 mm -43.89 -55.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 74.109999999999999 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.521 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.8 mtt180 -42.26 -55.92 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 75.109999999999999 110.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.55 -32.13 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 73.230000000000004 110.329 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -71.26 -51.27 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 71.150000000000006 110.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.815 HD21 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -62.03 -22.55 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 72.230000000000004 109.313 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 22.8 pt20 45.04 55.18 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 73.519999999999996 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.674 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -93.71 -172.27 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 60.030000000000001 109.212 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -110.41 -174.75 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.200000000000003 109.348 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.94 -4.68 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 44.43 109.366 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -96.14 -29.81 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.674 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.2 tp60 -80.9 138.67 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 110.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.15 143.82 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 109.346 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.708 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 2.6 t80 -141.91 133.67 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 75.540000000000006 111.0 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 22.4 m-85 -141.98 115.26 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 53.43 111.022 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.624 HD12 HG13 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -84.72 124.34 31.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 70.099999999999994 109.328 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -100.03 119.1 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.319 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.9 t -85.41 106.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.244 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.42 9.05 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 73.329999999999998 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.61 2.1 37.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 61.149999999999999 110.984 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 19.0 p80 -123.56 129.12 50.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 0.803 . . . . 74.019999999999996 109.583 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.568 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -57.55 172.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 72.540000000000006 109.945 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.61 40.83 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.992 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.3 p -38.63 -31.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 109.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.7 t -122.01 102.6 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 43.149999999999999 109.982 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.693 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -105.11 87.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 73.430000000000007 109.344 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.5 13.6 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 74.420000000000002 109.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.606 HG22 HG23 ' A' ' 98' ' ' VAL . 29.1 m -125.22 144.48 47.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.010000000000005 110.335 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.94 138.73 23.58 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.48 1.779 . . . . 74.200000000000003 111.062 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.775 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -47.53 -25.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 74.510000000000005 109.261 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -64.8 -44.37 90.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 73.109999999999999 110.032 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' SER . 43.6 mt-10 -79.46 -54.88 5.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.35 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.606 HG23 HG22 ' A' ' 93' ' ' THR . 18.9 t -41.75 -33.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.030000000000001 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.617 ' CG ' HG23 ' A' ' 31' ' ' ILE . 2.7 t80 -78.46 -47.4 17.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 73.420000000000002 110.965 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -4.44 33.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.321 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -114.18 -1.17 13.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 63.149999999999999 110.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.754 ' HB2' HD21 ' A' ' 109' ' ' LEU . 10.5 mm-40 -126.37 -57.32 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.44 155.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 73.510000000000005 110.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' GLU . 4.0 t0 -111.24 -178.63 3.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 52.109999999999999 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' ASP . 10.1 mt-10 -38.44 -49.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 74.25 110.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.756 ' CB ' HG12 ' A' ' 17' ' ' VAL . 18.4 p-10 -40.0 -51.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 72.310000000000002 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.991 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 100.84 24.68 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 33.439999999999998 111.03 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.783 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -129.88 133.59 46.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 73.310000000000002 111.052 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.7 mt -79.2 148.65 32.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 71.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.38 107.13 7.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 75.439999999999998 110.996 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.597 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.3 mtt -122.97 148.63 45.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 64.010000000000005 110.973 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.4 t -120.51 125.96 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.346 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 8.1 p90 -106.72 153.67 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 73.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.588 ' HA ' HD13 ' A' ' 44' ' ' LEU . . . -173.14 178.23 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 24.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.639 ' N ' HD11 ' A' ' 44' ' ' LEU . 10.9 t -90.66 31.31 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 63.340000000000003 109.935 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 7.1 pt20 -149.9 123.93 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.450000000000003 110.342 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 5.3 tt0 -107.6 -7.05 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 54.409999999999997 110.274 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.5 p -134.14 72.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 61.450000000000003 110.415 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -101.25 -37.88 8.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 75.129999999999995 111.063 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 75.540000000000006 110.985 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.484 0.183 . . . . 62.229999999999997 110.971 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 28.2 m -121.78 133.07 54.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 65.519999999999996 109.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -95.88 107.98 3.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 43.009999999999998 110.966 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 141.54 128.9 2.4 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 110.992 -0.843 . . . . 53.43 110.992 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -106.17 37.96 2.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 0.726 . . . . 71.129999999999995 109.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -75.63 -29.96 59.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 109.314 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.3 107.83 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.256 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.898 ' CE2' HD13 ' A' ' 23' ' ' ILE . 1.4 m0 -68.26 -153.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 73.140000000000001 107.969 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.83 156.18 16.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 75.25 110.385 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.91 130.99 55.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.310000000000002 109.574 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.854 HD12 HD23 ' A' ' 63' ' ' LEU . 3.3 mt -98.82 123.8 43.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 73.230000000000004 109.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -124.37 127.1 47.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 62.219999999999999 109.989 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.407 ' HA ' ' CG1' ' B' ' 346' ' ' VAL . 0.0 OUTLIER -87.74 11.86 14.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 53.030000000000001 110.038 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -25.38 13.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 71.409999999999997 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.1 -1.05 57.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 61.520000000000003 110.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.407 ' CG1' ' HA ' ' B' ' 343' ' ' SER . 14.9 m -71.64 -173.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 73.120000000000005 109.195 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 37.2 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 64.450000000000003 109.339 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.019 -0.363 . . . . 54.43 110.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mmt -124.26 156.55 66.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 74.030000000000001 111.02 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -89.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.468 1.773 . . . . 72.219999999999999 111.045 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 4' ' ' GLU . 13.0 t -116.48 -179.24 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 60.340000000000003 109.965 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.6 tt0 -61.97 124.83 21.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 71.450000000000003 110.295 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -69.46 173.34 6.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 65.129999999999995 109.334 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.598 HG23 ' HG2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -104.23 146.9 28.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 52.200000000000003 110.446 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD2' HG21 ' A' ' 50' ' ' THR . 62.4 m-85 -43.21 -25.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.299999999999997 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.598 ' HG2' HG23 ' A' ' 6' ' ' THR . 13.9 ptmt -78.1 -42.08 33.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 74.230000000000004 109.276 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' THR . 8.1 mm100 -83.2 -61.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 60.229999999999997 110.266 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . 17.0 tpt180 -36.76 -79.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 63.539999999999999 110.306 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HB3' ' CD ' ' A' ' 16' ' ' ARG . 1.1 mpt_? -38.45 133.17 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 70.400000000000006 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' GLN . 4.1 m -70.68 126.42 29.56 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.414 1.071 . . . . 61.509999999999998 109.996 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.81 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -44.87 -44.29 9.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.392 1.057 . . . . 71.109999999999999 110.976 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.85 -34.77 71.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 72.439999999999998 110.238 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' SER . 15.6 mm100 -79.38 -34.04 42.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 110.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' CD ' ' HB3' ' A' ' 11' ' ' ARG . 4.5 mmp_? -73.37 -28.16 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 73.109999999999999 110.311 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 13' ' ' PHE . 94.0 t -77.79 -34.92 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 72.239999999999995 109.257 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -79.12 -37.69 38.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 74.549999999999997 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.87 -49.4 76.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 51.310000000000002 109.339 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.937 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.5 OUTLIER -68.95 -48.97 67.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 71.230000000000004 109.334 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 62.7 ttt180 -43.66 -26.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 73.349999999999994 110.319 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -74.72 -63.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 64.329999999999998 109.317 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.894 HG12 HD21 ' A' ' 53' ' ' LEU . 1.1 mp -51.7 -20.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 73.030000000000001 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 2.5 mmp_? -67.34 -38.21 84.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.040000000000006 110.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' OE2' ' C ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -93.49 -37.4 11.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 75.540000000000006 110.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.484 ' C ' ' CD2' ' A' ' 27' ' ' HIS . 36.9 mt-30 -78.12 -22.45 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 74.230000000000004 110.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.484 ' CD2' ' C ' ' A' ' 26' ' ' GLN . 32.1 m-70 -150.77 71.14 8.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.540000000000006 109.58 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.82 11.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.422 1.748 . . . . 74.040000000000006 110.955 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -88.12 12.08 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.209999999999994 110.38 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 7.9 mmtp -125.83 169.31 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 74.25 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.562 HG21 ' HB2' ' A' ' 99' ' ' TYR . 7.0 mm -119.69 121.01 30.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 63.340000000000003 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.4 Cg_endo -74.87 130.16 13.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 60.009999999999998 111.004 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 111' ' ' MET . 1.5 m -140.9 159.36 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 41.310000000000002 109.279 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.952 HG22 ' OE1' ' A' ' 36' ' ' GLU . 20.4 mm -131.41 118.07 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 63.119999999999997 109.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.847 HD12 HD11 ' A' ' 81' ' ' LEU . 4.1 mm -103.75 127.46 57.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 64.400000000000006 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.952 ' OE1' HG22 ' A' ' 34' ' ' ILE . 2.3 mp0 -133.35 162.19 32.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 73.349999999999994 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -82.09 126.04 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 110.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.64 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.4 t80 -46.91 140.85 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 54.109999999999999 110.94 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -56.82 97.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 73.549999999999997 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CD ' ' A' ' 42' ' ' LYS . . . 112.88 14.65 9.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 74.450000000000003 111.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.575 ' OE1' ' CE1' ' A' ' 113' ' ' TYR . 6.0 tt0 -86.07 122.32 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 0.801 . . . . 62.140000000000001 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -124.05 -42.84 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 64.400000000000006 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -42.34 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 65.430000000000007 110.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.471 HD12 HD11 ' A' ' 73' ' ' LEU . 2.3 mm? -55.14 144.82 48.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 74.319999999999993 109.28 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.93 167.08 27.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 72.019999999999996 110.996 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.57 111.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.25 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.63 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.18 148.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 70.209999999999994 109.312 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.63 ' H ' HD13 ' A' ' 47' ' ' LEU . 45.2 t0 -54.36 -43.28 71.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 65.120000000000005 109.351 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.63 ' HE2' HG21 ' B' ' 339' ' ' THR . 0.0 OUTLIER -142.81 -175.19 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 64.030000000000001 109.354 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.916 HG22 HG23 ' A' ' 34' ' ' ILE . 11.0 m -115.08 -32.29 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 64.230000000000004 110.375 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HA ' HD13 ' A' ' 34' ' ' ILE . 6.5 mtmm -83.69 130.89 34.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 74.5 109.247 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.704 ' HA ' HG22 ' B' ' 339' ' ' THR . 83.4 m-85 -140.43 135.34 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 64.540000000000006 111.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.894 HD21 HG12 ' A' ' 23' ' ' ILE . 41.1 mt -104.33 104.06 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 70.040000000000006 109.319 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.797 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -87.45 142.27 32.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 54.109999999999999 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.622 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.04 131.93 14.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 72.209999999999994 110.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 6.0 p-10 -87.57 44.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -141.55 15.3 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 109.532 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.19 -164.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 63.399999999999999 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -112.22 161.69 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 54.0 109.287 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.642 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.1 ppp? -56.53 -20.54 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 110.972 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.649 ' CB ' HG11 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -62.61 -53.47 54.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 60.520000000000003 110.026 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 20.5 mm-40 -42.12 -55.78 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 65.319999999999993 110.253 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.951 HD12 HD11 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -40.72 -46.57 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 109.308 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mm -53.38 -47.63 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 62.299999999999997 109.274 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' GLU . 37.4 mttt -62.01 -27.92 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 65.209999999999994 109.351 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.691 HG21 HD13 ' B' ' 341' ' ' LEU . 3.5 mm -71.89 -58.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 63.229999999999997 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.636 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 10.5 mm -48.28 -62.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.335 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.9 ptm85 -50.41 -37.31 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 75.109999999999999 110.333 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' B' ' 345' ' ' GLU . 11.4 mmm180 -69.09 -27.14 65.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 73.230000000000004 110.344 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.531 ' HD3' ' HZ1' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -78.15 -42.69 30.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 71.150000000000006 110.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.559 HD21 HD22 ' A' ' 47' ' ' LEU . 18.1 mt -70.38 -13.5 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 109.255 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.4 pt20 44.96 50.15 9.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 73.519999999999996 110.329 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.738 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.4 mt -86.94 -174.05 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 60.030000000000001 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -123.28 -175.79 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 74.200000000000003 109.241 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.22 71.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 44.43 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -64.34 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 74.340000000000003 109.261 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.738 ' HG2' HD22 ' A' ' 73' ' ' LEU . 6.2 tp-100 -87.89 127.12 35.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.299999999999997 110.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' O ' ' OG ' ' A' ' 115' ' ' SER . . . -98.09 129.96 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.636 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -130.56 136.89 49.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 75.540000000000006 111.032 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 14.3 m-85 -143.52 131.4 21.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 53.43 110.974 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.847 HD11 HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -102.39 118.66 37.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 70.099999999999994 109.279 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -95.74 101.23 12.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 74.120000000000005 109.333 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.642 HG21 ' CE ' ' A' ' 60' ' ' MET . 3.0 t -66.57 110.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 75.329999999999998 109.329 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.43 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 2.0 m-20 67.08 22.54 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.329999999999998 109.251 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.49 4.99 72.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.56 1.162 . . . . 61.149999999999999 111.027 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.9 p80 -124.41 136.71 54.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 74.019999999999996 109.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.425 ' HA ' HD12 ' A' ' 82' ' ' LEU . 4.8 p -58.14 172.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 72.540000000000006 109.93 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.424 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -129.33 15.09 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 73.310000000000002 111.032 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.493 HG21 ' OE1' ' A' ' 117' ' ' GLU . 88.9 t -40.45 122.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.209999999999994 109.272 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.4 t 81.97 50.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 43.149999999999999 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.649 HG11 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -40.39 100.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 73.430000000000007 109.297 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -114.32 24.91 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.420000000000002 110.041 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.708 HG22 HG23 ' A' ' 98' ' ' VAL . 43.8 m -157.11 139.36 10.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.010000000000005 110.392 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 93' ' ' THR . 18.0 Cg_endo -75.06 147.03 33.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.452 1.764 . . . . 74.200000000000003 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.951 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -55.45 -19.3 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.510000000000005 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.1 67.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.109999999999999 110.025 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 101' ' ' SER . 15.8 mm-40 -93.25 -52.28 4.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 74.430000000000007 110.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.708 HG23 HG22 ' A' ' 93' ' ' THR . 6.6 t -42.74 -29.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.588 ' HA ' HD11 ' A' ' 109' ' ' LEU . 7.2 t80 -75.73 -58.99 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.204 . . . . 73.420000000000002 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 1.8 pt-20 -69.48 -6.65 31.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 110.265 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' GLU . 10.9 m -106.1 -2.11 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 1.129 . . . . 63.149999999999999 110.022 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.684 ' HB2' HD21 ' A' ' 109' ' ' LEU . 16.3 mm-40 -131.27 -60.82 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 75.099999999999994 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.81 146.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 73.510000000000005 110.26 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ASP . 2.0 t0 -100.92 176.8 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.109999999999999 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -39.06 -30.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 74.25 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.602 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -53.6 -51.69 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 72.310000000000002 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.937 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 101.16 10.9 40.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.449 1.093 . . . . 33.439999999999998 111.016 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -117.69 127.47 53.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 73.310000000000002 111.068 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 102' ' ' GLU . 4.4 mt -80.27 136.47 36.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 71.0 109.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.461 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 97.3 m-85 -119.07 107.16 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.981 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.614 ' HB3' HD22 ' A' ' 81' ' ' LEU . 20.0 mtt -115.41 148.07 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 64.010000000000005 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.626 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.4 t -123.85 114.51 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 73.329999999999998 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.581 ' HD2' HG22 ' A' ' 35' ' ' ILE . 4.6 p90 -102.14 161.91 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 73.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -179.25 179.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 24.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -87.06 23.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 63.340000000000003 110.014 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -149.67 133.46 16.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 70.450000000000003 110.352 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 5.4 tt0 -116.14 -7.45 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 54.409999999999997 110.362 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.4 p -130.96 18.67 5.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 61.450000000000003 110.41 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' A' ' 120' ' ' GLY . 18.7 p90 -41.29 -48.89 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 111.045 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.485 ' N ' ' CD2' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.518 1.136 . . . . 75.540000000000006 111.026 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 11.8 mmt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.494 0.188 . . . . 62.229999999999997 110.994 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 67.6 p -47.8 173.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 65.519999999999996 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -158.97 93.66 0.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 43.009999999999998 111.051 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . 138.89 154.12 6.32 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.956 -0.858 . . . . 53.43 110.956 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.94 -68.06 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 71.129999999999995 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 336' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' B' ' 337' ' ' ASP . 0.1 OUTLIER 164.26 109.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 73.319999999999993 109.363 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' B' ' 336' ' ' ASP . 6.8 p30 -27.34 117.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 74.409999999999997 109.311 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -65.13 -155.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.140000000000001 107.945 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.704 HG22 ' HA ' ' A' ' 52' ' ' PHE . 5.4 t -95.82 149.98 20.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 75.25 110.348 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.86 120.97 40.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 75.310000000000002 109.63 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.691 HD13 HG21 ' A' ' 66' ' ' ILE . 2.8 mt -94.41 116.36 28.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 73.230000000000004 109.365 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -113.71 126.09 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 62.219999999999999 109.931 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.835 ' O ' HG22 ' B' ' 346' ' ' VAL . 3.9 p -79.95 -2.06 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 53.030000000000001 110.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -29.36 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 71.409999999999997 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 345' ' ' GLU . . . . . 0.417 ' O ' ' NH2' ' A' ' 69' ' ' ARG . 45.1 mt-10 -77.74 -7.01 55.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 61.520000000000003 110.273 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.835 HG22 ' O ' ' B' ' 343' ' ' SER . 10.3 m -78.86 176.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 64.450000000000003 109.296 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.049 -0.352 . . . . 54.43 110.049 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -69.87 153.1 95.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 74.030000000000001 111.04 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.19 9.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 72.219999999999999 110.95 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -93.39 -176.39 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 60.340000000000003 109.98 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.81 155.02 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 71.450000000000003 110.323 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -51.59 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 65.129999999999995 109.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.9 p -123.52 152.47 41.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 52.200000000000003 110.4 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.652 ' CZ ' HG21 ' A' ' 50' ' ' THR . 26.3 m-85 -46.25 -24.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 75.299999999999997 111.038 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 3.7 ptmm? -77.36 -41.08 41.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 74.230000000000004 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.7 mt-30 -89.45 -62.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 60.229999999999997 110.284 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 6' ' ' THR . 18.4 tpt180 -46.8 -74.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 63.539999999999999 110.264 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -64.33 128.63 36.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 70.400000000000006 110.323 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' GLN . 51.8 m -76.23 123.08 25.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 61.509999999999998 109.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.1 t80 -39.06 -52.55 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.109999999999999 110.998 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -47.81 -42.21 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 110.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.3 mm100 -65.18 -40.93 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 75.040000000000006 110.229 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.564 HH21 ' N ' ' A' ' 13' ' ' PHE . 68.6 mtm180 -69.2 -25.24 64.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 110.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.771 HG22 ' CB ' ' A' ' 106' ' ' ASP . 64.6 t -73.22 -45.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 72.239999999999995 109.317 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.62 -49.0 76.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 110.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NE1' ' B' ' 338' ' ' TRP . 1.9 t70 -48.8 -39.11 24.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 51.310000000000002 109.296 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.25 -36.68 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 71.230000000000004 109.306 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -52.53 -21.6 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 73.349999999999994 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -92.82 -63.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 64.329999999999998 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.794 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -49.64 -22.9 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.030000000000001 109.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -76.1 -36.65 58.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 74.040000000000006 110.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.44 -4.58 34.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 75.540000000000006 110.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' LEU . 36.3 mt-30 -106.4 -53.33 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.230000000000004 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -120.94 81.13 34.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.540000000000006 109.62 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.88 -35.26 3.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 74.040000000000006 111.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -89.91 33.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 72.209999999999994 110.377 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -138.52 148.34 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 74.25 109.28 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.663 HG23 ' CG ' ' A' ' 99' ' ' TYR . 28.0 mm -101.9 113.86 65.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.99 136.46 20.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 60.009999999999998 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -146.39 149.05 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 41.310000000000002 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.0 mm -120.86 95.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 63.119999999999997 109.318 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 50' ' ' THR . 58.4 mt -92.19 127.65 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 64.400000000000006 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' CD ' ' CD1' ' A' ' 7' ' ' PHE . 19.3 mt-10 -127.77 168.53 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 73.349999999999994 110.289 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -79.73 132.24 36.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.239999999999995 110.337 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.694 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.8 t80 -58.16 131.45 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 54.109999999999999 110.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 3.8 ptmm? -51.18 102.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 73.549999999999997 109.327 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.34 13.1 12.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 110.972 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.51 103.93 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 62.140000000000001 110.309 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.95 -33.84 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 64.400000000000006 109.274 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 18.4 mm-40 -51.35 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 65.430000000000007 110.32 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD11 ' N ' ' A' ' 115' ' ' SER . 3.2 mt -54.83 147.58 31.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 74.319999999999993 109.267 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.461 ' HD2' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.555 1.818 . . . . 72.019999999999996 110.954 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.53 131.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.25 109.305 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.66 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -61.44 147.79 43.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.329 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.66 ' H ' HD13 ' A' ' 47' ' ' LEU . 2.3 m-20 -46.98 -40.96 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 65.120000000000005 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.463 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -153.81 -174.11 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 64.030000000000001 109.34 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.652 HG21 ' CZ ' ' A' ' 7' ' ' PHE . 24.4 m -112.55 -29.42 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 64.230000000000004 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 8.9 mtmm -88.72 123.58 33.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 74.5 109.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.657 ' HB3' HD11 ' B' ' 341' ' ' LEU . 94.2 m-85 -132.27 146.2 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 64.540000000000006 111.033 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.651 HD21 HG12 ' A' ' 23' ' ' ILE . 59.1 mt -113.84 103.76 11.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 70.040000000000006 109.31 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.848 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -87.71 142.38 32.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 54.109999999999999 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.634 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.04 133.11 16.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.789 . . . . 72.209999999999994 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 4.4 p-10 -86.34 44.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.209999999999994 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.957 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.31 14.52 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 74.420000000000002 109.562 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.957 HG13 ' ND1' ' A' ' 57' ' ' HIS . 24.4 m -137.34 -165.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 63.399999999999999 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.472 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -116.52 157.62 24.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 54.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.563 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.1 ppp? -47.35 -24.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.142 . . . . 72.030000000000001 110.954 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.625 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.4 -52.18 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 60.520000000000003 110.035 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' LYS . 6.5 mm-40 -44.84 -49.85 10.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.319999999999993 110.343 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.057 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.06 -40.0 43.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 75.349999999999994 109.269 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.807 HD13 HD13 ' A' ' 63' ' ' LEU . 27.9 mm -62.86 -30.44 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 62.299999999999997 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -75.71 -31.39 59.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 65.209999999999994 109.345 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.87 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.5 mm -70.96 -54.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 63.229999999999997 109.34 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.521 HG21 ' CE1' ' A' ' 79' ' ' PHE . 14.0 mm -52.18 -61.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 109.323 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.725 HH21 HG22 ' A' ' 64' ' ' ILE . 5.5 ptp180 -56.78 -22.4 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 75.109999999999999 110.348 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.684 HH21 ' CB ' ' B' ' 347' ' ' ASP . 5.3 mmt180 -79.76 -24.73 41.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 73.230000000000004 110.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -84.16 -46.14 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 71.150000000000006 110.268 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLN . 6.9 mt -66.44 -25.04 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.230000000000004 109.301 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' LEU . 25.6 pt20 37.47 49.72 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 73.519999999999996 110.243 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.683 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -72.96 -173.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 60.030000000000001 109.351 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 76' ' ' ASN . 19.7 p30 -104.41 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 74.200000000000003 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.67 59.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 44.43 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.415 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . 7.7 t-20 -83.4 -28.39 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.340000000000003 109.32 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.683 ' HG2' HD22 ' A' ' 73' ' ' LEU . 6.8 tp-100 -86.09 138.17 32.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 75.299999999999997 110.316 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.56 128.69 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.299999999999997 109.348 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CE1' HG21 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -120.94 141.93 50.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.540000000000006 110.971 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.93 132.96 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 53.43 110.983 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.474 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -98.33 122.58 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 70.099999999999994 109.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.919 HD21 ' O ' ' A' ' 116' ' ' GLN . 2.5 mm? -105.12 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.9 HG22 ' SD ' ' A' ' 111' ' ' MET . 4.0 t -76.14 111.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.329999999999998 109.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.86 10.92 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 73.329999999999998 109.254 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.96 11.61 39.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 61.149999999999999 111.014 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.63 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.0 p80 -131.23 143.59 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 74.019999999999996 109.658 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.434 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 83.7 p -57.81 166.67 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 72.540000000000006 109.963 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.406 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.78 11.48 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 111.015 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' SER . 6.4 p -39.44 133.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 86.16 22.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 43.149999999999999 109.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.625 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -39.37 97.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 73.430000000000007 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' SER . 18.8 t -131.86 9.42 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 109.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 96.7 m -119.99 143.64 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 72.010000000000005 110.36 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.96 139.56 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 74.200000000000003 111.028 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.848 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.29 -23.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.510000000000005 109.229 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -68.59 -39.21 81.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 73.109999999999999 109.976 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 40.7 mm-40 -85.13 -48.63 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.362 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.421 HG23 HG22 ' A' ' 93' ' ' THR . 38.9 t -48.15 -34.95 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 73.030000000000001 109.288 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.762 ' CD2' HD23 ' A' ' 109' ' ' LEU . 1.2 t80 -80.94 -34.85 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 73.420000000000002 110.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -82.86 -4.24 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 m -114.57 5.61 15.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 63.149999999999999 109.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 103' ' ' ARG . 18.5 mm-40 -134.4 -46.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 75.099999999999994 110.301 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.99 153.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.510000000000005 110.339 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -174.99 2.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 52.109999999999999 109.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.9 -43.84 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 74.25 110.304 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.771 ' CB ' HG22 ' A' ' 17' ' ' VAL . 19.9 p-10 -53.63 -47.7 70.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 72.310000000000002 109.26 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.8 23.94 7.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 33.439999999999998 111.023 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.767 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.07 132.33 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 73.310000000000002 111.023 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.79 138.75 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 71.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -126.22 106.85 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 111.026 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.9 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.2 mtt -133.31 154.07 51.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 64.010000000000005 110.965 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -116.09 143.89 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 73.329999999999998 109.301 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -121.72 139.93 52.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.694 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -168.29 179.23 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 24.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.493 ' N ' HD11 ' A' ' 44' ' ' LEU . 23.6 t -85.7 39.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 110.019 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.919 ' O ' HD21 ' A' ' 82' ' ' LEU . 2.4 mt-30 -147.73 128.62 14.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 70.450000000000003 110.31 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 80' ' ' PHE . 9.7 tt0 -127.38 -2.81 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 54.409999999999997 110.306 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -129.61 1.72 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 61.450000000000003 110.416 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 120' ' ' GLY . 13.6 p90 -43.15 -36.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 75.129999999999995 110.972 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.428 1.08 . . . . 75.540000000000006 111.004 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 12.4 ttp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.513 0.196 . . . . 62.229999999999997 111.036 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 1.4 t -127.79 101.16 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 65.519999999999996 110.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -115.22 91.21 0.55 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 43.009999999999998 111.027 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.55 154.03 24.46 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 53.43 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -105.19 62.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 71.129999999999995 109.283 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 336' ' ' ASP . . . . . 0.408 ' OD2' ' CD1' ' A' ' 22' ' ' LEU . 1.6 m-20 -90.68 -31.16 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 73.319999999999993 109.244 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -119.65 113.04 20.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 74.409999999999997 109.284 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.794 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -82.13 -153.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 73.140000000000001 108.005 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.413 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -98.23 147.36 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 75.25 110.4 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.87 123.51 46.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 109.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.87 ' HB3' HG21 ' A' ' 66' ' ' ILE . 4.8 mt -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 109.35 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.46 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -111.38 123.11 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 62.219999999999999 109.984 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.658 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.4 OUTLIER -85.19 10.52 12.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 53.030000000000001 110.041 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.09 -29.65 13.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 71.409999999999997 109.313 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.6 -1.4 57.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.520000000000003 110.287 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 343' ' ' SER . 22.3 m -76.97 178.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 73.120000000000005 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 347' ' ' ASP . . . . . 0.684 ' CB ' HH21 ' A' ' 69' ' ' ARG . 14.8 t0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 64.450000000000003 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.98 -0.378 . . . . 54.43 109.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtt -82.85 163.37 51.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 74.030000000000001 110.932 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 150.43 38.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 72.219999999999999 111.06 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 58.56 48.08 12.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 60.340000000000003 110.003 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.09 147.63 24.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 71.450000000000003 110.277 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -52.93 -179.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.07 . . . . 65.129999999999995 109.308 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 62.4 p -122.58 152.36 40.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 52.200000000000003 110.427 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.648 ' CE2' HG21 ' A' ' 50' ' ' THR . 2.3 t80 -46.27 -24.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 75.299999999999997 111.035 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' CG ' ' OG1' ' A' ' 6' ' ' THR . 6.3 ptpt -78.26 -40.78 36.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 74.230000000000004 109.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.6 mm-40 -89.42 -64.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 60.229999999999997 110.304 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.3 tpt180 -38.95 -79.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 63.539999999999999 110.334 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.44 136.83 25.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 70.400000000000006 110.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.452 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 1.4 m -67.03 126.94 30.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 61.509999999999998 110.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.797 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.0 t80 -51.33 -39.59 57.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 110.957 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.499 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 8.2 mt-10 -65.59 -31.07 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 110.337 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.858 ' HB3' HH21 ' A' ' 16' ' ' ARG . 6.0 mm100 -70.57 -47.29 60.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 75.040000000000006 110.279 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.858 HH21 ' HB3' ' A' ' 15' ' ' GLN . 5.9 mmp_? -61.58 -55.02 35.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 73.109999999999999 110.298 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 106' ' ' ASP . 7.1 p -56.46 -38.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.239999999999995 109.295 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 24.2 tt0 -55.15 -57.7 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 74.549999999999997 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' ARG . 9.8 t0 -49.92 -53.86 23.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 51.310000000000002 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG21 ' O ' ' A' ' 107' ' ' GLY . 8.5 t -39.77 -32.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 71.230000000000004 109.319 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 8.7 ttt85 -57.28 -53.12 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 73.349999999999994 110.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.9 mt -56.84 -51.09 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 64.329999999999998 109.292 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.802 HD13 ' CE2' ' B' ' 338' ' ' TRP . 1.2 tp -62.26 -27.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 73.030000000000001 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.3 mmm180 -71.9 -33.42 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.261 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -100.61 -4.7 27.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 75.540000000000006 110.27 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 22' ' ' LEU . 26.3 mt-30 -106.6 -59.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 110.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.66 ' CG ' HD13 ' A' ' 53' ' ' LEU . 6.6 m80 -117.02 80.75 11.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 74.540000000000006 109.657 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -75.0 -32.78 5.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.552 1.817 . . . . 74.040000000000006 111.07 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -89.64 30.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.439 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 24.2 mmtt -138.13 144.93 41.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 74.25 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.628 HG23 ' CG ' ' A' ' 99' ' ' TYR . 17.0 mm -96.64 114.55 64.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 63.340000000000003 109.341 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.93 131.99 15.01 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.451 1.764 . . . . 60.009999999999998 111.018 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.67 160.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 41.310000000000002 109.344 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.554 HG12 ' CE1' ' A' ' 108' ' ' PHE . 1.9 mm -134.9 95.9 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 63.119999999999997 109.274 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.454 HD13 HG13 ' A' ' 67' ' ' ILE . 49.5 mt -95.89 129.17 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 64.400000000000006 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -131.83 165.7 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 73.349999999999994 110.323 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -73.62 136.07 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 73.239999999999995 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -57.53 139.95 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 54.109999999999999 111.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 13.4 ptmt -59.44 98.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 73.549999999999997 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.51 20.24 9.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 111.049 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.5 tm-20 -110.52 103.84 12.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 62.140000000000001 110.254 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 -22.43 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.299 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -44.29 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 65.430000000000007 110.348 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.64 HD11 ' N ' ' A' ' 115' ' ' SER . 1.2 mp -58.98 154.67 37.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.319999999999993 109.332 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD2' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 165.89 30.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 72.019999999999996 110.99 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.6 t -83.29 122.77 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 71.25 109.319 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.98 146.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 70.209999999999994 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.604 ' H ' HD13 ' A' ' 47' ' ' LEU . 1.3 m-20 -47.66 -44.78 27.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 65.120000000000005 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.1 OUTLIER -139.95 -172.15 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 64.030000000000001 109.392 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.648 HG21 ' CE2' ' A' ' 7' ' ' PHE . 3.3 m -113.98 -28.97 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 64.230000000000004 110.431 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.6 mtmp? -94.5 126.08 39.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 74.5 109.235 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 87.5 m-85 -135.87 126.96 27.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 64.540000000000006 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD13 ' CG ' ' A' ' 27' ' ' HIS . 14.0 mt -92.79 103.83 16.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 70.040000000000006 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.872 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -86.61 141.59 34.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 54.109999999999999 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.553 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 134.23 17.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.413 1.744 . . . . 72.209999999999994 110.954 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.7 p-10 -86.85 46.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.938 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -144.04 16.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 74.420000000000002 109.531 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.938 HG13 ' ND1' ' A' ' 57' ' ' HIS . 18.8 m -136.64 -162.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 63.399999999999999 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -113.82 174.66 5.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 54.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.627 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.5 ppp? -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 72.030000000000001 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.966 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -67.44 -42.44 83.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 60.520000000000003 109.959 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.04 -30.56 48.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.422 1.076 . . . . 65.319999999999993 110.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.784 HD23 HD12 ' B' ' 341' ' ' LEU . 0.4 OUTLIER -65.97 -29.63 70.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 75.349999999999994 109.322 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.966 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.3 mt -75.82 -41.9 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 62.299999999999997 109.258 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 65' ' ' LYS . 6.9 mmtt -61.96 -23.66 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 65.209999999999994 109.308 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.585 ' CG2' HD22 ' B' ' 341' ' ' LEU . 97.2 mt -89.32 -62.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 63.229999999999997 109.297 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.555 HG12 HD22 ' A' ' 63' ' ' LEU . 14.5 mm -39.78 -48.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 74.109999999999999 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 4.2 ptm85 -61.24 -44.16 97.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 75.109999999999999 110.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 14.8 mmm180 -57.88 -30.99 66.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.437 1.086 . . . . 73.230000000000004 110.276 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -40.4 64.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 71.150000000000006 110.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.549 ' HG ' HD22 ' A' ' 47' ' ' LEU . 33.8 mt -69.26 -8.61 47.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 72.230000000000004 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 21.9 pt20 45.83 39.62 5.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 73.519999999999996 110.323 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.658 HD22 ' HG2' ' A' ' 77' ' ' GLN . 18.1 mt -71.85 172.92 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 60.030000000000001 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -108.43 167.65 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 74.200000000000003 109.383 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.32 -15.69 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 44.43 109.272 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -86.13 -23.54 26.57 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 109.293 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.658 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.4 tp60 -83.39 139.4 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 75.299999999999997 110.317 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.21 138.37 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 75.299999999999997 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.763 ' HE1' HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -143.22 147.75 35.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 111.027 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 39.1 m-85 -143.46 119.98 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 53.43 110.956 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.62 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -86.75 109.66 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 70.099999999999994 109.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.637 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -92.09 116.06 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.120000000000005 109.307 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.867 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.8 t -85.79 110.65 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 75.329999999999998 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.84 7.18 5.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 73.329999999999998 109.277 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.22 6.75 38.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 61.149999999999999 110.976 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.7 p80 -128.32 139.19 52.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 74.019999999999996 109.594 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.726 ' HB2' HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -57.62 171.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 72.540000000000006 110.008 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.623 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -113.93 15.19 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 73.310000000000002 110.953 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.726 HG13 ' HB2' ' A' ' 87' ' ' SER . 3.2 m -40.24 126.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.209999999999994 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 89.13 21.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 43.149999999999999 110.036 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.627 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.21 107.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 73.430000000000007 109.369 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.77 12.38 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 110.06 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 54.3 m -124.18 143.21 42.02 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.462 1.101 . . . . 72.010000000000005 110.394 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.03 143.9 29.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 74.200000000000003 110.987 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.872 HD13 HG11 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -54.65 -20.23 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.510000000000005 109.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.5 p -68.77 -36.59 78.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 73.109999999999999 109.996 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' SER . 5.9 mm-40 -91.67 -50.06 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.05 -38.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.723 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -77.42 -36.04 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 73.420000000000002 111.003 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -81.49 -4.17 55.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.91 5.93 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 63.149999999999999 110.102 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 103' ' ' ARG . 21.4 mm-40 -133.59 -48.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 75.099999999999994 110.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.16 149.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 73.510000000000005 110.363 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 -175.11 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 52.109999999999999 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -49.71 -47.73 50.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 74.25 110.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.872 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.1 p-10 -46.25 -50.48 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 72.310000000000002 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.648 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 102.21 45.48 1.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 33.439999999999998 110.987 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -145.28 131.38 19.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 73.310000000000002 110.987 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.723 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.47 138.25 38.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 71.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -124.6 108.97 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 75.439999999999998 110.97 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.867 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.6 mtt -130.27 139.17 50.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 64.010000000000005 111.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.0 t -110.55 133.76 54.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 73.329999999999998 109.302 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.565 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.8 p90 -113.19 152.93 29.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 1.149 . . . . 73.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.91 178.84 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 24.0 109.337 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.64 ' N ' HD11 ' A' ' 44' ' ' LEU . 6.5 t -88.18 24.29 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 63.340000000000003 110.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.8 tp60 -149.91 142.23 24.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 110.365 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.563 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 4.6 tt0 -122.49 -2.21 8.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 54.409999999999997 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 74.3 p -136.85 66.92 1.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 61.450000000000003 110.446 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 120' ' ' GLY . 29.5 p90 -98.78 -37.82 9.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 75.129999999999995 110.974 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.408 ' N ' ' CD1' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 75.540000000000006 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.515 0.197 . . . . 62.229999999999997 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 83.7 p -128.44 103.17 6.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 65.519999999999996 110.033 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 76.27 -156.91 47.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 43.009999999999998 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.31 -46.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 53.43 111.008 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -97.24 71.61 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 71.129999999999995 109.245 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -62.91 -50.03 72.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 73.319999999999993 109.282 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.91 131.58 51.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.409999999999997 109.244 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.802 ' CE2' HD13 ' A' ' 23' ' ' ILE . 3.6 m0 -76.83 -152.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 73.140000000000001 108.022 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' B' ' 340' ' ' HIS . 2.1 m -89.49 168.74 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.25 110.406 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 340' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -125.04 121.68 35.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.310000000000002 109.569 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.784 HD12 HD23 ' A' ' 63' ' ' LEU . 6.8 mt -99.28 113.95 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 109.312 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.46 ' HB2' ' CG ' ' B' ' 345' ' ' GLU . 0.7 OUTLIER -111.45 123.96 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 62.219999999999999 109.976 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.761 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.3 OUTLIER -78.13 0.59 24.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 53.030000000000001 109.936 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -21.16 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 71.409999999999997 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 345' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' B' ' 342' ' ' SER . 5.0 mm-40 -87.43 -7.39 57.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 61.520000000000003 110.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.761 HG22 ' O ' ' B' ' 343' ' ' SER . 29.9 m -79.89 -177.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 73.120000000000005 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 64.450000000000003 109.278 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.99 -0.374 . . . . 54.43 109.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 156.57 45.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 74.030000000000001 110.986 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 57.66 4.7 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.421 1.748 . . . . 72.219999999999999 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 p -159.19 136.0 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 60.340000000000003 109.97 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.96 126.58 52.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 71.450000000000003 110.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -57.45 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 65.129999999999995 109.336 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.2 p -109.21 154.32 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 52.200000000000003 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 57.1 m-85 -44.97 -22.72 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 75.299999999999997 111.041 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 13.1 ptmt -81.64 -39.74 23.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 74.230000000000004 109.272 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' THR . 37.9 mt-30 -92.08 -64.57 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 60.229999999999997 110.313 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' THR . 20.9 tpt85 -36.62 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 63.539999999999999 110.26 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -39.82 134.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 70.400000000000006 110.242 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -70.5 131.4 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 61.509999999999998 109.995 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.673 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.8 t80 -46.46 -38.95 9.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 71.109999999999999 110.998 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HA ' HG12 ' A' ' 17' ' ' VAL . 2.7 pt-20 -81.95 -21.5 37.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 72.439999999999998 110.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' SER . 17.0 mm100 -82.96 -19.98 36.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 75.040000000000006 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' NH2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -90.84 -38.18 13.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 110.294 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 13' ' ' PHE . 6.8 p -76.01 -34.99 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 72.239999999999995 109.278 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.09 -47.05 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 74.549999999999997 110.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 51.310000000000002 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.611 ' CG2' ' CD2' ' A' ' 108' ' ' PHE . 26.5 t -55.79 -24.63 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 71.230000000000004 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -58.76 -44.19 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 73.349999999999994 110.34 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD12 ' CG ' ' B' ' 335' ' ' ASP . 1.4 mt -62.6 -54.84 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 64.329999999999998 109.376 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.881 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -61.49 -26.67 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.341 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.2 mmm180 -72.54 -33.41 66.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 74.040000000000006 110.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.58 -4.93 27.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.540000000000006 110.368 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.498 ' NE2' ' OD2' ' B' ' 337' ' ' ASP . 6.2 mt-30 -104.86 -58.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 74.230000000000004 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -117.19 80.83 12.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 109.592 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.505 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.93 -32.58 5.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 74.040000000000006 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.9 p -89.83 30.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 72.209999999999994 110.481 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -136.46 151.66 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 74.25 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.634 HG23 ' CG ' ' A' ' 99' ' ' TYR . 17.0 mm -103.65 113.59 65.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 63.340000000000003 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -74.96 139.28 24.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 60.009999999999998 110.946 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 52' ' ' PHE . 3.5 m -142.45 161.81 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 41.310000000000002 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.556 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -135.91 95.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 63.119999999999997 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.969 HD13 HD11 ' A' ' 67' ' ' ILE . 9.9 mt -95.36 131.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 64.400000000000006 109.361 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 3.6 mp0 -132.62 173.78 10.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 73.349999999999994 110.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -80.43 137.48 36.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 73.239999999999995 110.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -61.65 137.16 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 54.109999999999999 110.959 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.8 mtmt -59.73 99.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.549999999999997 109.254 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.63 18.12 9.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 74.450000000000003 110.972 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -109.28 108.08 18.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 62.140000000000001 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.89 -36.0 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 64.400000000000006 109.25 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 35.4 mt-30 -38.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 65.430000000000007 110.405 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.9 mt -54.94 152.25 14.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.299 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.72 28.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.488 1.783 . . . . 72.019999999999996 110.987 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.01 121.93 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 71.25 109.235 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.578 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.19 149.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 70.209999999999994 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.578 ' H ' HD13 ' A' ' 47' ' ' LEU . 39.3 t0 -58.93 -37.92 77.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HE3' ' CB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -144.64 -177.86 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 64.030000000000001 109.322 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -113.39 -31.95 6.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 64.230000000000004 110.449 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.9 mtmp? -93.59 135.91 34.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.5 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.627 ' HB3' HD11 ' B' ' 341' ' ' LEU . 11.1 m-85 -139.99 140.21 36.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 64.540000000000006 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.623 HD21 HG12 ' A' ' 23' ' ' ILE . 19.3 mt -109.2 104.26 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 70.040000000000006 109.31 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.541 HG11 HD13 ' A' ' 95' ' ' ILE . 2.6 t -91.54 141.44 25.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 54.109999999999999 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.536 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 135.47 19.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 72.209999999999994 110.982 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 5.9 p-10 -85.86 48.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 73.209999999999994 109.362 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.838 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.97 21.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 74.420000000000002 109.598 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.838 HG13 ' ND1' ' A' ' 57' ' ' HIS . 33.5 m -137.26 -167.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 63.399999999999999 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -116.72 148.55 40.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 54.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.644 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.8 ppp? -42.83 -26.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 110.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.655 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.98 -47.61 77.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 60.520000000000003 110.033 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE2' HG11 ' A' ' 58' ' ' VAL . 7.1 mt-10 -47.27 -52.15 16.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 65.319999999999993 110.35 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 67' ' ' ILE . 3.2 tp -47.04 -32.59 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 75.349999999999994 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mm -71.23 -41.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 62.299999999999997 109.251 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 25.1 mtpp -65.0 -35.77 82.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 65.209999999999994 109.262 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.7 mm -70.9 -57.71 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.264 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.969 HD11 HD13 ' A' ' 35' ' ' ILE . 20.5 mm -46.09 -68.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 74.109999999999999 109.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 12.1 ptm180 -44.17 -42.63 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 75.109999999999999 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' CZ ' ' O ' ' B' ' 345' ' ' GLU . 9.1 mmm180 -62.12 -36.26 81.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 73.230000000000004 110.318 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -67.5 -46.09 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 71.150000000000006 110.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 73' ' ' LEU . 9.8 mt -64.4 -12.74 46.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 109.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.2 pt20 45.93 40.8 7.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 73.519999999999996 110.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.8 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.8 mt -80.19 -176.52 5.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 60.030000000000001 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -121.31 -178.55 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 74.200000000000003 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.17 62.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 44.43 109.4 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.32 -25.85 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 74.340000000000003 109.353 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.8 ' HG2' HD22 ' A' ' 73' ' ' LEU . 6.2 tp-100 -91.36 129.56 37.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.299999999999997 110.228 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.57 129.44 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 75.299999999999997 109.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.639 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -135.51 134.65 39.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 75.540000000000006 111.015 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 22.4 m-85 -143.33 116.0 8.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 53.43 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 HG13 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -84.93 119.01 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 70.099999999999994 109.267 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.63 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -93.45 120.33 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.306 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.886 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.9 t -87.27 108.2 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 75.329999999999998 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 72.66 10.29 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 109.315 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.91 3.11 45.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 61.149999999999999 111.043 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 5.7 p80 -124.59 129.97 51.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 0.742 . . . . 74.019999999999996 109.595 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.571 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.8 172.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 72.540000000000006 109.972 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.96 40.93 3.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 110.971 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -39.26 -30.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 72.209999999999994 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.3 m -119.55 103.85 9.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 43.149999999999999 109.953 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.655 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -108.5 86.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 73.430000000000007 109.263 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -124.81 18.08 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 74.420000000000002 110.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.837 HG22 HG23 ' A' ' 98' ' ' VAL . 3.6 m -129.89 145.97 59.36 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 72.010000000000005 110.368 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -74.96 143.52 29.31 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.467 1.772 . . . . 74.200000000000003 111.034 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.541 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -53.21 -21.07 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 74.510000000000005 109.27 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.7 p -71.26 -35.73 71.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 73.109999999999999 110.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 48.5 mm-40 -88.44 -51.82 5.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.837 HG23 HG22 ' A' ' 93' ' ' THR . 6.0 t -47.01 -33.21 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 73.030000000000001 109.272 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.634 ' CG ' HG23 ' A' ' 31' ' ' ILE . 2.3 t80 -79.46 -37.63 36.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 73.420000000000002 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.29 -3.5 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.9 3.39 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 63.149999999999999 110.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.724 ' HB2' HD21 ' A' ' 109' ' ' LEU . 3.8 mm-40 -134.16 -51.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 75.099999999999994 110.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 5.5 ppt_? -34.74 150.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.510000000000005 110.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -96.66 -174.87 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 52.109999999999999 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 6.7 mm-40 -54.49 -38.79 66.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 74.25 110.361 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.636 ' C ' ' OD1' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -57.38 -47.59 81.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 109.318 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.68 27.6 4.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 33.439999999999998 110.956 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.643 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -120.62 133.29 55.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 73.310000000000002 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.3 mt -83.28 147.95 27.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 71.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -126.73 106.94 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 75.439999999999998 110.979 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.886 ' SD ' HG22 ' A' ' 83' ' ' VAL . 4.1 mtt -128.99 133.17 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 64.010000000000005 111.027 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -110.24 124.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 73.329999999999998 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 4.1 p90 -103.34 153.74 20.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 73.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.78 178.48 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 24.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.25 30.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 63.340000000000003 110.045 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 119' ' ' PHE . 3.9 pt20 -149.79 126.03 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 70.450000000000003 110.354 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 11.0 tt0 -110.05 -7.1 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 54.409999999999997 110.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.4 p -133.59 68.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 110.385 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.42 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 43.0 p90 -97.39 -31.43 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 75.129999999999995 111.059 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 75.540000000000006 110.986 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 331' ' ' MET . . . . . 0.405 ' O ' ' C ' ' B' ' 332' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.504 0.192 . . . . 62.229999999999997 110.988 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 332' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 331' ' ' MET . 17.7 p 39.13 50.52 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 65.519999999999996 109.975 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 58.72 60.95 7.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 43.009999999999998 110.978 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 52.41 -179.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.016 -0.834 . . . . 53.43 111.016 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.555 ' CG ' HD12 ' A' ' 22' ' ' LEU . 3.8 p30 -97.36 76.42 2.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.561 0.801 . . . . 71.129999999999995 109.296 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -104.33 60.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 73.319999999999993 109.29 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ASP . . . . . 0.498 ' OD2' ' NE2' ' A' ' 26' ' ' GLN . 11.2 m-20 71.55 108.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 74.409999999999997 109.322 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.881 ' NE1' HD13 ' A' ' 23' ' ' ILE . 3.4 m0 -61.79 -152.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 73.140000000000001 107.971 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -100.26 146.67 26.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.25 110.391 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 340' ' ' HIS . . . . . 0.582 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.2 OUTLIER -100.51 123.49 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 75.310000000000002 109.602 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.856 ' HB3' HG21 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -89.89 119.85 30.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 73.230000000000004 109.376 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.479 ' O ' HG13 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -113.21 120.24 40.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 62.219999999999999 110.046 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' GLU . 3.8 t -90.1 21.68 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 53.030000000000001 109.987 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -105.43 -29.57 10.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 71.409999999999997 109.32 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 345' ' ' GLU . . . . . 0.412 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.3 mt-10 -93.55 -2.24 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.520000000000003 110.249 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.697 ' CG1' HD13 ' A' ' 66' ' ' ILE . 22.3 m -77.06 -171.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 73.120000000000005 109.264 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 64.450000000000003 109.278 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.961 -0.385 . . . . 54.43 109.961 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 mmt -95.28 154.73 39.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 74.030000000000001 110.99 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.25 9.73 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.534 1.807 . . . . 72.219999999999999 110.96 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -98.84 108.43 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 60.340000000000003 109.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -58.34 135.45 57.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 71.450000000000003 110.367 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -50.85 -179.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 65.129999999999995 109.323 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 9' ' ' GLN . 3.3 p -124.1 149.64 45.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 52.200000000000003 110.373 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -42.17 -26.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 111.046 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 6' ' ' THR . 8.8 ptmt -72.78 -47.99 41.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 74.230000000000004 109.288 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' THR . 9.0 mm100 -85.84 -64.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 60.229999999999997 110.263 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 6' ' ' THR . 21.2 tpt180 -44.9 -72.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.45 1.094 . . . . 63.539999999999999 110.237 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.494 ' HG2' HH21 ' A' ' 16' ' ' ARG . 0.5 OUTLIER -69.55 116.18 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 70.400000000000006 110.387 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -53.99 130.03 36.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 61.509999999999998 109.998 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.058 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -46.46 -64.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 71.109999999999999 111.009 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' VAL . 4.4 mt-10 -52.42 -20.11 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 72.439999999999998 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.8 OUTLIER -84.25 -30.47 25.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 75.040000000000006 110.246 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.494 HH21 ' HG2' ' A' ' 11' ' ' ARG . 7.2 ttm-85 -90.75 -19.02 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 73.109999999999999 110.342 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.058 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.2 m -81.56 -43.1 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.239999999999995 109.328 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.54 -22.79 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.549999999999997 110.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.19 -57.73 6.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 51.310000000000002 109.301 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.919 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -49.83 -44.16 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 71.230000000000004 109.306 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 40.8 ttt180 -38.43 -38.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 73.349999999999994 110.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.44 -59.43 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 64.329999999999998 109.246 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.778 HD13 ' CE2' ' B' ' 338' ' ' TRP . 0.9 OUTLIER -54.08 -23.48 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 109.236 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -71.3 -32.91 69.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -100.91 -5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.540000000000006 110.336 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -107.25 -60.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 110.345 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.449 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 56.6 m-70 -119.59 78.23 20.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.6 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.44 11.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.514 1.797 . . . . 74.040000000000006 111.043 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -89.17 21.09 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 72.209999999999994 110.409 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 18.9 mmtt -132.7 156.9 46.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 74.25 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.612 ' O ' HG12 ' A' ' 54' ' ' VAL . 16.3 mm -107.33 121.8 43.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 63.340000000000003 109.283 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.93 141.92 27.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 60.009999999999998 111.022 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.68 162.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 41.310000000000002 109.257 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.4 mm -136.39 96.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 63.119999999999997 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.93 HD13 HD11 ' A' ' 67' ' ' ILE . 11.4 mt -94.85 121.91 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 64.400000000000006 109.321 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' CD ' HG21 ' A' ' 50' ' ' THR . 6.5 mm-40 -127.63 174.85 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 73.349999999999994 110.314 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -85.02 131.7 34.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 2.1 t80 -53.79 136.55 39.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 54.109999999999999 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -58.04 103.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 73.549999999999997 109.271 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.07 20.19 14.71 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 111.007 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.6 tm-20 -112.52 109.88 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 62.140000000000001 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -21.94 11.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 64.400000000000006 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 65.430000000000007 110.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.644 HD12 ' HD1' ' A' ' 113' ' ' TYR . 13.6 mt -54.76 148.44 26.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 74.319999999999993 109.252 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.46 8.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 72.019999999999996 111.011 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.44 107.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 71.25 109.356 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.071 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.3 145.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 70.209999999999994 109.316 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.576 ' H ' HD13 ' A' ' 47' ' ' LEU . 55.2 m-20 -44.37 -38.07 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.265 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -161.53 -169.75 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 64.030000000000001 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.5 HG21 ' CD ' ' A' ' 36' ' ' GLU . 3.2 m -115.2 -32.71 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 64.230000000000004 110.435 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.564 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 15.5 mtmm -92.46 129.91 38.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 74.5 109.34 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.65 ' HB3' HD11 ' B' ' 341' ' ' LEU . 45.6 m-85 -140.87 136.31 32.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 64.540000000000006 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 6.0 mt -100.14 103.09 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 70.040000000000006 109.269 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.747 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.8 p -93.82 143.75 27.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 54.109999999999999 109.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.747 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.02 127.05 10.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 72.209999999999994 111.008 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.05 53.23 2.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 73.209999999999994 109.306 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.7 p-80 -154.61 28.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.54 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.19 -163.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 63.399999999999999 109.299 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.63 148.49 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 54.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.611 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.2 ppp? -47.11 -23.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 72.030000000000001 111.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.673 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -53.52 57.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 60.520000000000003 109.978 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' LYS . 15.7 mm-40 -42.3 -51.75 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 65.319999999999993 110.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 95' ' ' ILE . 1.4 tt -44.34 -46.03 9.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 75.349999999999994 109.237 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 64' ' ' ILE . 6.1 mm -58.92 -40.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 62.299999999999997 109.256 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 16.9 mtpp -69.74 -23.95 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 65.209999999999994 109.297 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.962 HG21 ' HB3' ' B' ' 341' ' ' LEU . 15.8 mm -82.77 -34.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 63.229999999999997 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.93 HD11 HD13 ' A' ' 35' ' ' ILE . 9.4 mm -72.0 -69.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.109999999999999 109.354 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 5.6 ptm180 -45.43 -34.43 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 110.262 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 1.4 mpt_? -62.13 -39.68 93.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 73.230000000000004 110.272 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.9 mtt-85 -69.57 -51.25 37.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 71.150000000000006 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.071 HD21 HD22 ' A' ' 47' ' ' LEU . 26.5 mt -61.3 -19.76 62.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 72.230000000000004 109.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 39.74 43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 110.342 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.866 HD22 ' HG2' ' A' ' 77' ' ' GLN . 2.4 mt -75.19 169.04 18.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 60.030000000000001 109.282 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -109.43 176.62 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 74.200000000000003 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.52 -40.36 71.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 44.43 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -56.0 -39.41 71.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 74.340000000000003 109.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.866 ' HG2' HD22 ' A' ' 73' ' ' LEU . 5.9 tp-100 -92.46 125.5 37.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 75.299999999999997 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.27 136.08 43.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 75.299999999999997 109.285 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -129.29 134.77 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 75.540000000000006 111.032 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 117' ' ' GLU . 12.9 m-85 -143.48 117.46 9.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.471 1.107 . . . . 53.43 110.986 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -85.64 114.18 22.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 70.099999999999994 109.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.898 HD12 ' CZ ' ' A' ' 119' ' ' PHE . 0.4 OUTLIER -89.04 116.76 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 74.120000000000005 109.344 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.689 HG11 ' OE1' ' A' ' 102' ' ' GLU . 55.0 t -81.72 113.67 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 75.329999999999998 109.312 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.83 20.59 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 73.329999999999998 109.289 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.82 6.85 61.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 61.149999999999999 111.021 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 22.8 p80 -128.14 127.61 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 74.019999999999996 109.633 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.485 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 15.4 p -57.65 172.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 72.540000000000006 109.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -119.84 42.86 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 73.310000000000002 110.985 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.1 p -39.2 -30.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 72.209999999999994 109.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.7 t -118.85 105.09 11.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 43.149999999999999 110.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -109.91 87.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.286 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -126.84 19.81 7.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.420000000000002 110.065 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.583 HG23 ' HD2' ' A' ' 94' ' ' PRO . 21.5 m -130.11 144.82 54.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.010000000000005 110.394 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.06 138.16 22.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 74.200000000000003 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.838 HD11 HD12 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -46.47 -32.16 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 74.510000000000005 109.347 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.3 p -57.2 -43.02 82.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 73.109999999999999 109.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLU . 47.8 mt-10 -83.07 -54.66 4.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 74.430000000000007 110.274 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.578 HG23 HG22 ' A' ' 93' ' ' THR . 5.2 t -41.6 -32.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 73.030000000000001 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.585 ' CD2' HG23 ' A' ' 31' ' ' ILE . 1.9 t80 -79.09 -46.5 17.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 73.420000000000002 110.989 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' GLU . 7.0 pt-20 -71.62 -4.73 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.239999999999995 110.313 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -111.35 -7.49 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 63.149999999999999 109.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 109' ' ' LEU . 93.4 mt-10 -123.85 -58.35 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 75.099999999999994 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.78 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 110.336 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.07 -176.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 52.109999999999999 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ASP . 36.5 mm-40 -44.99 -50.44 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.25 110.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.686 ' CB ' HG12 ' A' ' 17' ' ' VAL . 11.5 p-10 -39.33 -51.47 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.310000000000002 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.919 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 101.45 31.18 5.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 33.439999999999998 110.992 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -132.97 129.86 38.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 73.310000000000002 110.97 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.5 mt -78.44 139.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 71.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.468 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 87.0 m-85 -119.06 107.4 13.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 75.439999999999998 111.066 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.62 ' SD ' HG22 ' A' ' 83' ' ' VAL . 6.1 mtt -128.59 139.16 52.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 64.010000000000005 111.031 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.7 t -114.66 121.99 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 73.329999999999998 109.29 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.644 ' HD1' HD12 ' A' ' 44' ' ' LEU . 10.2 p90 -100.4 151.72 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -170.77 179.2 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 24.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.8 t -88.33 24.06 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 63.340000000000003 109.962 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 7.2 pt20 -144.48 124.78 13.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -107.03 -13.61 15.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 54.409999999999997 110.296 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.516 ' O ' ' C ' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -122.16 39.67 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 61.450000000000003 110.372 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.898 ' CZ ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -27.0 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 75.129999999999995 110.985 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.569 1.168 . . . . 75.540000000000006 111.022 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.549 0.214 . . . . 62.229999999999997 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 1.6 m -50.12 179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 65.519999999999996 109.977 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 121.5 -91.12 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 43.009999999999998 110.994 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.23 -153.92 14.66 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 53.43 110.983 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -96.22 53.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 71.129999999999995 109.35 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -49.39 61.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 73.319999999999993 109.208 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.11 109.9 17.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.784 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 29.7 m0 -54.14 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.036 -1.098 . . . . 73.140000000000001 108.036 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.732 HG23 ' N ' ' B' ' 340' ' ' HIS . 0.6 OUTLIER -157.81 -169.53 2.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 1.103 . . . . 75.25 110.339 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 340' ' ' HIS . . . . . 0.732 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.86 117.82 12.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 75.310000000000002 109.597 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.962 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -93.67 84.38 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.486 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -84.77 136.42 33.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 62.219999999999999 110.056 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.503 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.5 OUTLIER -91.34 8.72 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 53.030000000000001 110.043 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -33.19 10.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.409999999999997 109.303 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.1 -11.79 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 61.520000000000003 110.279 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.708 ' CG1' HD13 ' A' ' 66' ' ' ILE . 32.2 m -61.18 -170.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 73.120000000000005 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 64.450000000000003 109.286 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.99 -0.374 . . . . 54.43 109.99 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.79 157.71 32.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 74.030000000000001 110.961 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -52.6 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.245 0 O-C-N 124.442 1.759 . . . . 72.219999999999999 111.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -105.52 127.0 52.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 60.340000000000003 110.064 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -87.9 124.81 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 71.450000000000003 110.34 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -66.04 -172.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 65.129999999999995 109.323 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.685 HG23 ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -104.9 153.61 21.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 52.200000000000003 110.436 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 50' ' ' THR . 9.6 m-85 -44.65 -24.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 75.299999999999997 110.966 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.685 ' HG3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -79.73 -39.02 32.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 74.230000000000004 109.295 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.0 mm100 -91.31 -65.51 1.01 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 60.229999999999997 110.273 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' THR . 26.2 tpt180 -39.87 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 63.539999999999999 110.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -51.41 132.81 29.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 70.400000000000006 110.329 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLN . 99.3 p -74.29 124.59 26.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 61.509999999999998 110.051 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.7 t80 -37.9 -56.26 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 71.109999999999999 111.014 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -47.01 -42.28 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 72.439999999999998 110.323 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' SER . 23.3 mm100 -69.1 -42.72 75.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.529 HH22 HG21 ' A' ' 34' ' ' ILE . 13.8 mtp180 -63.13 -27.01 69.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 73.109999999999999 110.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.72 HG22 ' HA ' ' A' ' 106' ' ' ASP . 89.8 t -84.98 -39.37 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 72.239999999999995 109.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 74.549999999999997 110.303 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -55.15 -30.51 59.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 51.310000000000002 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 108' ' ' PHE . 9.8 t -76.89 -28.73 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 71.230000000000004 109.338 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.95 -37.39 84.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 73.349999999999994 110.31 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -75.16 -57.04 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 64.329999999999998 109.334 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.767 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.2 tp -52.76 -27.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 73.030000000000001 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 6.6 mmm180 -72.33 -32.89 66.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 74.040000000000006 110.259 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.81 -4.51 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 75.540000000000006 110.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 60.3 mt-30 -112.06 -17.81 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.230000000000004 110.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.805 ' CG ' HD13 ' A' ' 53' ' ' LEU . 88.2 m-70 -160.6 68.37 2.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 74.540000000000006 109.535 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.2 Cg_endo -75.07 -26.38 10.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 74.040000000000006 110.967 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.1 p -86.52 12.15 11.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 72.209999999999994 110.503 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 5.3 mmtp -126.03 164.37 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 74.25 109.343 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.823 HG23 ' CD2' ' A' ' 99' ' ' TYR . 34.2 mm -110.62 115.23 54.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 63.340000000000003 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.677 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 138.45 23.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 60.009999999999998 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.84 159.2 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 41.310000000000002 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.602 HG23 HG22 ' A' ' 50' ' ' THR . 2.4 mm -132.91 95.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 63.119999999999997 109.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 50' ' ' THR . 8.0 mt -86.93 133.59 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 64.400000000000006 109.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 7' ' ' PHE . 11.8 mm-40 -134.21 158.73 42.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 73.349999999999994 110.345 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -69.21 137.47 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 73.239999999999995 110.36 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.9 t80 -63.45 148.68 47.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 54.109999999999999 111.038 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 9.6 ptpt -62.38 96.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 73.549999999999997 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.2 24.53 7.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 74.450000000000003 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -84.9 116.05 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 62.140000000000001 110.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.91 -39.65 3.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 64.400000000000006 109.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.402 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 45.4 mm-40 -52.18 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 65.430000000000007 110.314 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.746 HD11 ' HA ' ' A' ' 79' ' ' PHE . 12.3 mt -54.62 139.54 59.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.95 165.54 31.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 72.019999999999996 110.968 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' LEU . 46.9 t -71.26 114.54 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 71.25 109.31 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.915 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -39.88 145.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 70.209999999999994 109.33 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.497 ' H ' HD13 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -57.39 -43.89 84.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 65.120000000000005 109.359 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 177.23 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 64.030000000000001 109.372 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.678 HG21 ' CE2' ' A' ' 7' ' ' PHE . 37.9 m -113.53 -18.94 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 64.230000000000004 110.396 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 11.9 mtmm -105.94 133.33 50.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 74.5 109.298 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' HA ' HG22 ' B' ' 339' ' ' THR . 5.8 m-85 -140.04 138.05 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 64.540000000000006 111.002 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.805 HD13 ' CG ' ' A' ' 27' ' ' HIS . 20.0 mt -106.14 103.16 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 70.040000000000006 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.2 p -95.48 143.85 26.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 54.109999999999999 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.97 130.32 13.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 72.209999999999994 110.942 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -79.55 53.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 73.209999999999994 109.249 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.76 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -154.13 22.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 109.634 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.76 HG13 ' ND1' ' A' ' 57' ' ' HIS . 27.5 m -137.39 -168.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 63.399999999999999 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -109.23 161.35 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 54.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.75 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.7 ppp? -58.17 -29.78 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 72.030000000000001 111.081 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.943 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.3 t -66.3 -42.51 88.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 60.520000000000003 110.032 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' B' ' 343' ' ' SER . 4.3 mt-10 -53.14 -32.61 48.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 65.319999999999993 110.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 95' ' ' ILE . 1.5 tp -64.95 -29.86 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 75.349999999999994 109.319 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.982 HG23 ' CE2' ' A' ' 79' ' ' PHE . 7.4 mt -74.36 -48.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 62.299999999999997 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 22.3 mtmt -50.59 -25.6 4.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 65.209999999999994 109.314 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' B' ' 346' ' ' VAL . 44.3 mt -90.11 -55.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 63.229999999999997 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.741 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 6.9 mm -42.11 -46.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 74.109999999999999 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 65' ' ' LYS . 28.8 ptt180 -60.49 -43.02 97.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.39 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' ILE . 5.8 mmm180 -59.24 -25.76 64.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 73.230000000000004 110.258 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -43.72 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 71.150000000000006 110.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.915 HD21 HD22 ' A' ' 47' ' ' LEU . 93.5 mt -67.04 -10.98 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 13.1 pt20 45.84 46.24 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.328 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.747 HD13 ' OE1' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -85.3 -172.4 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 60.030000000000001 109.384 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -116.85 -174.94 2.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 74.200000000000003 109.357 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.08 71.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.097 . . . . 44.43 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -68.62 -39.74 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 109.309 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.747 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 tm0? -60.65 143.66 53.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 75.299999999999997 110.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.563 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -120.45 131.69 54.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 109.298 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.982 ' CE2' HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -131.53 119.82 22.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.566 1.167 . . . . 75.540000000000006 111.044 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -118.27 113.98 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 53.43 110.979 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -90.19 109.44 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.099999999999994 109.284 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.664 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -87.97 114.46 24.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.328 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.619 HG12 ' CE1' ' A' ' 86' ' ' HIS . 2.5 t -83.33 109.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.212 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.3 m-20 71.24 6.1 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.67 3.36 30.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 61.149999999999999 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.619 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.7 p80 -123.43 129.89 51.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 74.019999999999996 109.583 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.553 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -57.51 172.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 72.540000000000006 110.032 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.652 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -118.15 38.32 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.996 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.6 p -60.91 -13.91 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 72.209999999999994 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' SER . 77.8 p -117.13 28.91 8.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 43.149999999999999 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.75 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.4 OUTLIER -46.31 95.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 73.430000000000007 109.348 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.1 m -133.09 22.78 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.420000000000002 110.031 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.574 HG23 ' HD2' ' A' ' 94' ' ' PRO . 22.4 m -141.85 144.27 31.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 72.010000000000005 110.353 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.574 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.98 142.26 27.7 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.436 1.756 . . . . 74.200000000000003 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -46.08 -30.63 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.329 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.8 p -58.32 -45.23 88.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 73.109999999999999 109.988 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 20.0 mt-10 -81.62 -49.05 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 110.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 3.4 t -48.39 -25.83 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 73.030000000000001 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.823 ' CD2' HG23 ' A' ' 31' ' ' ILE . 8.6 t80 -80.18 -50.79 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.420000000000002 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -77.34 -3.61 40.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 110.287 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 m -110.59 3.62 19.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 63.149999999999999 110.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 6.6 mm-40 -137.38 -54.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 75.099999999999994 110.32 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 2.2 ppt_? -34.67 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 73.510000000000005 110.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.5 -175.14 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 52.109999999999999 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -46.69 -39.12 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 74.25 110.319 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.72 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -51.38 -50.44 59.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 72.310000000000002 109.284 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.03 17.33 20.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 33.439999999999998 111.035 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.764 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -119.02 135.14 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 73.310000000000002 110.99 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.752 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.55 140.31 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 71.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.14 108.71 11.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 75.439999999999998 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.71 136.42 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 64.010000000000005 111.02 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -107.43 130.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.569 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.7 p90 -105.13 160.96 14.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.08 168.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 24.0 109.356 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 t -89.2 21.65 3.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 63.340000000000003 110.083 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -145.79 119.15 8.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 70.450000000000003 110.278 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 7.3 tt0 -106.34 -7.17 17.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 54.409999999999997 110.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.2 p -132.42 56.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 61.450000000000003 110.413 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 120' ' ' GLY . 36.9 p90 -102.6 -24.58 13.77 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 110.975 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.488 1.117 . . . . 75.540000000000006 110.952 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.513 0.197 . . . . 62.229999999999997 111.019 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 60.7 m -112.8 -40.89 3.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 65.519999999999996 110.007 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 166.03 -34.87 0.24 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 43.009999999999998 111.048 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.93 -80.47 1.7 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.006 -0.837 . . . . 53.43 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -77.99 68.63 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 71.129999999999995 109.307 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -61.56 -42.62 99.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 73.319999999999993 109.274 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ASP . . . . . 0.589 ' CG ' ' HE2' ' A' ' 27' ' ' HIS . 7.9 t0 -168.03 148.43 4.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.767 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.1 m0 -87.28 -153.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.978 -1.119 . . . . 73.140000000000001 107.978 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -95.02 159.45 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 75.25 110.389 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.28 128.86 55.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 75.310000000000002 109.653 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 341' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.22 123.04 42.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 109.335 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.13 139.07 51.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 62.219999999999999 110.016 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.467 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -99.07 23.93 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 53.030000000000001 110.012 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -112.06 -32.0 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 71.409999999999997 109.326 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.3 -10.75 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 61.520000000000003 110.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 66' ' ' ILE . 17.6 m -65.28 175.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 64.450000000000003 109.323 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.937 -0.394 . . . . 54.43 109.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 ptp -64.59 154.83 83.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 74.030000000000001 110.968 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -72.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 72.219999999999999 111.105 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -98.69 145.4 26.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 60.340000000000003 110.066 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -85.48 169.3 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 71.450000000000003 110.249 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -58.04 163.08 2.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 65.129999999999995 109.27 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.7 p -99.97 149.46 23.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 52.200000000000003 110.368 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 36' ' ' GLU . 59.4 m-85 -41.07 -27.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 75.299999999999997 110.942 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 9' ' ' GLN . 16.6 pttt -80.5 -55.63 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 74.230000000000004 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 8' ' ' LYS . 7.8 mm100 -68.8 -62.59 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 60.229999999999997 110.343 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 6' ' ' THR . 21.3 tpt180 -38.19 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 63.539999999999999 110.329 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 122.4 15.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 70.400000000000006 110.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -46.59 114.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 61.509999999999998 109.912 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.2 t80 -36.84 -40.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 71.109999999999999 110.997 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -67.01 -60.55 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 72.439999999999998 110.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.36 -19.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.040000000000006 110.281 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.793 HH21 ' HB2' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -85.52 -47.74 9.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 73.109999999999999 110.338 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.995 HG22 ' HA ' ' A' ' 106' ' ' ASP . 74.7 t -52.32 -38.47 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 72.239999999999995 109.306 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 30.0 tt0 -67.35 -45.93 74.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.549999999999997 110.247 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.56 -39.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 51.310000000000002 109.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -71.66 -46.7 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.399 1.062 . . . . 71.230000000000004 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 9.6 ttt85 -42.64 -27.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 73.349999999999994 110.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -70.63 -55.01 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 64.329999999999998 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.812 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -64.67 -18.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 73.030000000000001 109.27 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -78.33 -32.87 49.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.040000000000006 110.33 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.01 -9.72 23.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 75.540000000000006 110.281 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 110.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ILE . 65.7 m-70 -126.76 73.02 75.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.540000000000006 109.572 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.65 12.69 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 74.040000000000006 111.016 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -84.96 10.95 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 110.394 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.2 mmtt -125.31 159.54 31.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 74.25 109.325 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.681 HG23 ' CD2' ' A' ' 99' ' ' TYR . 18.4 mm -110.14 122.94 37.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 63.340000000000003 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.07 138.99 23.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 60.009999999999998 110.971 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.69 161.92 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.188 . . . . 41.310000000000002 109.211 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.711 HG23 HG22 ' A' ' 50' ' ' THR . 3.1 mm -139.71 95.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 63.119999999999997 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.09 HD13 HD11 ' A' ' 67' ' ' ILE . 6.5 mt -88.11 132.8 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 64.400000000000006 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 7' ' ' PHE . 2.7 mp0 -134.1 170.79 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.349999999999994 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.82 138.21 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 73.239999999999995 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.86 138.33 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 54.109999999999999 111.035 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 18.3 mtmm -57.28 95.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 73.549999999999997 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.76 20.31 7.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 74.450000000000003 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 9.2 tp10 -111.31 105.11 13.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 62.140000000000001 110.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -30.06 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 64.400000000000006 109.276 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -41.53 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 65.430000000000007 110.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 115' ' ' SER . 5.3 mt -54.84 150.47 18.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.244 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.98 167.55 26.81 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.428 1.751 . . . . 72.019999999999996 111.043 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.2 t -83.97 121.0 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 71.25 109.307 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.675 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.25 147.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 70.209999999999994 109.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.675 ' H ' HD13 ' A' ' 47' ' ' LEU . 31.6 t0 -50.19 -45.9 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 65.120000000000005 109.361 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.01 -174.13 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.607 1.192 . . . . 64.030000000000001 109.29 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.711 HG22 HG23 ' A' ' 34' ' ' ILE . 41.1 m -115.1 -32.96 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.619 1.199 . . . . 64.230000000000004 110.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 3.0 mtmm -91.83 132.41 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 74.5 109.286 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.733 ' HB3' HD11 ' B' ' 341' ' ' LEU . 46.3 m-85 -140.23 136.38 33.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 64.540000000000006 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.51 HD21 ' CE3' ' B' ' 338' ' ' TRP . 9.3 mt -103.17 102.99 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 70.040000000000006 109.306 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.743 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.9 p -94.21 143.79 26.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 54.109999999999999 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.86 126.04 9.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.472 1.775 . . . . 72.209999999999994 111.038 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -82.17 51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 73.209999999999994 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 7.2 p-80 -148.0 19.81 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 74.420000000000002 109.616 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.5 -161.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 63.399999999999999 109.262 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.2 OUTLIER -116.57 149.91 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 54.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.469 ' C ' ' SD ' ' A' ' 60' ' ' MET . 1.1 ppp? -47.29 -26.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 72.030000000000001 110.999 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -55.53 -41.61 73.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 60.520000000000003 110.06 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' LEU . 9.2 mm-40 -56.16 -55.67 30.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 65.319999999999993 110.299 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.944 HD12 HD11 ' A' ' 95' ' ' ILE . 1.9 tt -38.43 -41.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 75.349999999999994 109.336 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 14.7 mm -58.25 -59.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 62.299999999999997 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 44.0 mtpt -52.3 -21.65 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 65.209999999999994 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.946 HG21 ' HB3' ' B' ' 341' ' ' LEU . 12.2 mm -82.49 -35.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 1.09 HD11 HD13 ' A' ' 35' ' ' ILE . 16.9 mm -68.76 -69.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.109999999999999 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -40.62 -28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 75.109999999999999 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmt180 -67.06 -45.56 77.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.230000000000004 110.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' ILE . 12.9 mmm180 -60.33 -50.35 73.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 71.150000000000006 110.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 3.5 mt -62.0 -24.11 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 72.230000000000004 109.262 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.8 pt20 46.18 41.7 9.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 73.519999999999996 110.269 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.591 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -73.69 -166.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 60.030000000000001 109.34 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.38 -175.12 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 74.200000000000003 109.308 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.44 -15.18 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 44.43 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -83.58 -20.14 34.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 74.340000000000003 109.256 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 73' ' ' LEU . 48.0 tp60 -91.35 134.98 34.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.299999999999997 110.341 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.74 129.5 49.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 75.299999999999997 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.681 ' CE1' HG21 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -130.77 135.2 47.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.540000000000006 110.946 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.531 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.52 125.95 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 53.43 110.995 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.498 HD22 HG13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -92.64 120.59 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 70.099999999999994 109.318 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 81' ' ' LEU . 3.2 mm? -96.69 106.09 18.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 109.395 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.656 HG12 ' CE1' ' A' ' 86' ' ' HIS . 9.4 t -73.75 107.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 75.329999999999998 109.26 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.92 8.88 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 109.25 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.32 6.22 36.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 61.149999999999999 111.01 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.656 ' CE1' HG12 ' A' ' 83' ' ' VAL . 20.7 p80 -126.01 139.15 53.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 74.019999999999996 109.645 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 p -57.55 167.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 72.540000000000006 110.005 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -123.94 18.18 9.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 111.013 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.455 ' CG1' ' OE1' ' A' ' 117' ' ' GLU . 3.1 m -47.24 -25.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 72.209999999999994 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' VAL . 91.7 p -102.81 39.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 43.149999999999999 109.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.645 HG22 ' N ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -39.3 -83.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.353 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.645 ' N ' HG22 ' A' ' 91' ' ' VAL . 2.0 t 38.41 29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.420000000000002 110.028 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' VAL . 53.6 m -152.33 139.91 12.97 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 72.010000000000005 110.444 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 18.5 Cg_endo -74.96 137.01 21.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 74.200000000000003 111.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.944 HD11 HD12 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -44.53 -32.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 74.510000000000005 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.0 p -57.64 -44.96 85.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 73.109999999999999 110.041 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' PRO . 37.4 mt-10 -77.33 -50.69 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 110.266 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.19 -35.32 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.030000000000001 109.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.769 ' CD2' HD23 ' A' ' 109' ' ' LEU . 2.1 t80 -78.72 -38.81 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 111.011 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.239999999999995 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -118.44 5.5 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.149999999999999 110.024 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 103' ' ' ARG . 32.5 mm-40 -133.46 -52.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.099999999999994 110.326 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -34.59 146.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 73.510000000000005 110.303 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 -175.04 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 52.109999999999999 109.255 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -46.89 -43.87 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 74.25 110.221 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.995 ' HA ' HG22 ' A' ' 17' ' ' VAL . 17.9 p-10 -54.54 -47.06 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 72.310000000000002 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.53 9.33 29.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 33.439999999999998 111.019 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.661 ' CD2' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -99.87 145.57 27.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 0.825 . . . . 73.310000000000002 111.02 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.769 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -95.42 134.1 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 71.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -114.16 112.32 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.439999999999998 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.535 ' HE2' ' HB3' ' A' ' 109' ' ' LEU . 3.1 mtt -133.33 131.18 39.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 64.010000000000005 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.3 t -103.32 128.94 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 73.329999999999998 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -108.8 150.72 27.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 73.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -170.74 178.14 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.378 1.049 . . . . 24.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.526 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.9 t -90.92 32.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 63.340000000000003 110.02 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -149.58 132.52 16.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 70.450000000000003 110.312 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.531 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 4.6 tt0 -119.18 -6.64 10.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 54.409999999999997 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.8 p -136.27 18.5 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 61.450000000000003 110.406 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' A' ' 120' ' ' GLY . 7.6 p90 -37.66 -49.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 110.992 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.427 ' N ' ' CD2' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 75.540000000000006 111.095 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.547 0.213 . . . . 62.229999999999997 111.046 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 87.5 p -168.4 156.46 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.388 1.055 . . . . 65.519999999999996 110.027 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -54.86 -18.34 11.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 43.009999999999998 111.026 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.52 -131.33 4.45 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.958 -0.857 . . . . 53.43 110.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.63 59.59 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 71.129999999999995 109.299 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -101.0 -63.93 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 73.319999999999993 109.282 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.64 108.42 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.349 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.812 ' NE1' HD13 ' A' ' 23' ' ' ILE . 3.2 m0 -74.23 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 73.140000000000001 108.05 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.499 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -93.62 162.89 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 75.25 110.45 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 340' ' ' HIS . . . . . 0.448 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -112.01 129.78 56.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 75.310000000000002 109.614 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.946 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.9 mt -102.81 109.1 20.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 73.230000000000004 109.318 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -111.16 132.17 54.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 62.219999999999999 109.986 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.485 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.2 t -92.87 15.58 14.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 53.030000000000001 110.019 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.469 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -101.44 -26.45 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 71.409999999999997 109.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.96 -1.36 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 61.520000000000003 110.264 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.708 ' CG1' HD13 ' A' ' 66' ' ' ILE . 17.8 m -71.01 -175.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 109.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 64.450000000000003 109.365 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.953 -0.388 . . . . 54.43 109.953 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.75 154.18 44.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 74.030000000000001 111.0 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -83.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.546 1.813 . . . . 72.219999999999999 111.0 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p -75.88 121.23 22.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 60.340000000000003 110.059 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -121.89 126.97 49.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 71.450000000000003 110.273 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -51.32 177.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 65.129999999999995 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 9' ' ' GLN . 16.9 p -113.5 157.52 21.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 52.200000000000003 110.455 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.529 ' HD2' HH21 ' A' ' 16' ' ' ARG . 21.9 m-85 -39.25 -41.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 75.299999999999997 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -56.56 -45.93 81.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 74.230000000000004 109.248 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 6' ' ' THR . 5.1 mt-30 -86.99 -66.57 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 60.229999999999997 110.324 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' THR . 47.3 tpt85 -38.84 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 63.539999999999999 110.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -41.15 131.03 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 70.400000000000006 110.346 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -51.87 127.75 21.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 61.509999999999998 109.999 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.048 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -46.83 -64.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 71.109999999999999 111.048 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' VAL . 89.8 mt-10 -52.18 -20.15 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 110.249 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 3.2 mm-40 -84.9 -30.34 24.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 75.040000000000006 110.269 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.529 HH21 ' HD2' ' A' ' 7' ' ' PHE . 5.4 mmt-85 -90.68 -18.33 25.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 110.323 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.048 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.3 m -82.26 -39.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 72.239999999999995 109.319 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -64.31 -24.4 67.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 74.549999999999997 110.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -64.27 -61.38 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 51.310000000000002 109.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -50.54 -44.88 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 71.230000000000004 109.276 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 42.1 ttt180 -43.36 -33.7 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 73.349999999999994 110.255 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 22' ' ' LEU . 2.3 mt -64.69 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 64.329999999999998 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.881 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -56.32 -22.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.578 1.173 . . . . 73.030000000000001 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -29.37 63.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 74.040000000000006 110.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -100.66 -18.66 16.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 75.540000000000006 110.184 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -98.3 -54.92 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 74.230000000000004 110.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' CG ' HD13 ' A' ' 53' ' ' LEU . 11.8 m-70 -117.37 79.94 12.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.540000000000006 109.61 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.5 7.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 74.040000000000006 110.992 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.4 p -89.74 28.59 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.209999999999994 110.443 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -136.35 151.83 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.25 109.266 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.558 HG13 HG23 ' A' ' 95' ' ' ILE . 46.2 mm -99.24 111.9 62.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 63.340000000000003 109.338 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 133.96 17.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 60.009999999999998 111.025 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 1.1 m -141.48 156.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 41.310000000000002 109.295 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -132.6 99.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 63.119999999999997 109.352 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.997 HD11 HD11 ' A' ' 63' ' ' LEU . 13.5 mt -92.82 128.5 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.633 ' OE1' HG23 ' A' ' 50' ' ' THR . 15.9 mm-40 -126.19 171.57 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 110.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -80.53 136.33 36.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 110.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.495 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 12.2 t80 -65.3 145.06 56.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 54.109999999999999 110.964 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 mtmp? -69.25 96.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.549999999999997 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.92 7.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.57 1.169 . . . . 74.450000000000003 110.994 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.9 tm-20 -109.33 106.51 16.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 62.140000000000001 110.303 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -35.77 4.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 64.400000000000006 109.309 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -39.05 -73.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 65.430000000000007 110.368 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 115' ' ' SER . 2.7 mt -60.08 149.48 74.39 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.52 1.137 . . . . 74.319999999999993 109.25 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.95 167.29 27.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 72.019999999999996 111.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.94 136.62 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 71.25 109.266 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -61.91 152.33 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 70.209999999999994 109.242 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 1.1 t0 -67.51 -37.39 82.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 65.120000000000005 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -127.43 -170.03 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 64.030000000000001 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.633 HG23 ' OE1' ' A' ' 36' ' ' GLU . 73.4 m -122.49 -38.79 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 64.230000000000004 110.345 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.583 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -106.34 150.12 26.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.5 109.22 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.768 ' HA ' HG22 ' B' ' 339' ' ' THR . 10.8 m-85 -140.0 145.41 37.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.1 . . . . 64.540000000000006 110.948 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.881 HD21 HG12 ' A' ' 23' ' ' ILE . 31.0 mt -102.81 104.23 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 70.040000000000006 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.907 HG11 HD13 ' A' ' 95' ' ' ILE . 2.2 t -90.77 142.32 27.63 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 54.109999999999999 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.617 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -74.97 127.11 10.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 72.209999999999994 110.99 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 12.5 p-10 -75.83 59.32 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.209999999999994 109.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' ND1' HG13 ' A' ' 58' ' ' VAL . 10.4 p80 -165.36 30.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 74.420000000000002 109.58 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.433 HG13 ' ND1' ' A' ' 57' ' ' HIS . 18.0 m -147.35 -162.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 63.399999999999999 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -114.09 164.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 54.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.759 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.1 ppp? -57.98 -29.12 64.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 111.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.914 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 60.520000000000003 110.047 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 46.9 mm-40 -43.09 -54.42 4.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 65.319999999999993 110.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.997 HD11 HD11 ' A' ' 35' ' ' ILE . 4.3 tp -39.94 -43.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.41 1.069 . . . . 75.349999999999994 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 61' ' ' SER . 3.6 mt -68.34 -46.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 62.299999999999997 109.322 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLU . 27.1 mtpp -51.76 -24.62 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 65.209999999999994 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.758 HG21 HD22 ' B' ' 341' ' ' LEU . 1.8 mm -89.51 -39.85 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 63.229999999999997 109.262 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.948 HD11 HD13 ' A' ' 35' ' ' ILE . 16.7 mm -58.89 -66.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.109999999999999 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HE ' HG22 ' A' ' 64' ' ' ILE . 14.9 ptp180 -47.53 -28.22 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 110.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -36.35 67.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 110.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' NE ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -71.5 -42.41 68.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 71.150000000000006 110.333 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 64.6 mt -73.35 -5.18 38.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 72.230000000000004 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 23.8 pt20 45.64 41.04 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.519999999999996 110.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 77' ' ' GLN . 28.1 mt -71.89 172.85 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 60.030000000000001 109.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.512 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 15.5 m-20 -122.1 -176.07 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.200000000000003 109.294 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.53 -12.64 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 44.43 109.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.512 ' ND2' ' HB2' ' A' ' 74' ' ' ASN . 12.6 p30 -86.74 -27.69 23.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.906 ' HG2' HD22 ' A' ' 73' ' ' LEU . 52.4 tp60 -87.63 142.32 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 75.299999999999997 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.482 ' O ' HD21 ' A' ' 44' ' ' LEU . . . -110.3 146.87 34.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 75.299999999999997 109.312 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -156.88 145.01 19.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 110.996 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 63.9 m-85 -143.31 122.7 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 53.43 111.032 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 109.53 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 70.099999999999994 109.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 87' ' ' SER . 3.5 mm? -88.48 108.14 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.120000000000005 109.29 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.855 HG22 ' SD ' ' A' ' 111' ' ' MET . 12.1 t -77.93 111.08 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 75.329999999999998 109.265 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 66.96 10.65 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.329999999999998 109.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.63 40.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 61.149999999999999 111.035 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.659 ' CE1' HG12 ' A' ' 83' ' ' VAL . 8.7 p80 -129.05 137.42 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 74.019999999999996 109.543 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.678 ' HB2' HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -57.96 170.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 72.540000000000006 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.411 ' HB3' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -115.69 20.71 14.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.962 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 87' ' ' SER . 3.6 m -42.2 128.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 72.209999999999994 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' SER . 8.0 m 73.36 38.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 43.149999999999999 110.022 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.562 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.51 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.266 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.6 m -120.31 11.86 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 109.977 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.732 HG22 HG23 ' A' ' 98' ' ' VAL . 86.8 m -127.85 128.62 23.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.010000000000005 110.397 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 18.2 Cg_endo -75.06 143.82 29.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 74.200000000000003 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.907 HD13 HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -45.0 -27.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.323 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.9 t -63.75 -44.87 92.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 109.973 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 30.0 mm-40 -82.52 -49.91 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.430000000000007 110.328 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.732 HG23 HG22 ' A' ' 93' ' ' THR . 24.2 t -48.29 -25.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.030000000000001 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.633 ' HA ' HD21 ' A' ' 109' ' ' LEU . 46.9 t80 -79.6 -49.84 11.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 73.420000000000002 111.009 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -78.93 -3.31 44.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.07 . . . . 74.239999999999995 110.306 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.9 m -112.79 4.82 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 63.149999999999999 110.035 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 7.5 mm-40 -138.07 -52.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 75.099999999999994 110.365 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 7.4 ppt_? -34.77 151.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 73.510000000000005 110.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER -116.91 -174.51 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 52.109999999999999 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' ASP . 22.5 mt-10 -37.0 -56.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 74.25 110.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.995 ' HB3' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -44.92 -48.64 11.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 72.310000000000002 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 103.2 -0.32 47.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 33.439999999999998 111.035 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.777 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -96.84 135.38 38.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 0.8 . . . . 73.310000000000002 110.92 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.33 136.1 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.0 109.222 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 8' ' ' LYS . 76.1 m-85 -121.29 113.99 20.71 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.986 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.855 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.6 mtt -136.65 142.45 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 64.010000000000005 111.008 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 7.1 t -110.44 141.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 73.329999999999998 109.357 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.438 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 4.5 p90 -118.98 152.71 35.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -173.0 178.34 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 24.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.68 30.5 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 63.340000000000003 109.919 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -150.01 130.23 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 70.450000000000003 110.292 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 3.1 tt0 -111.94 -12.14 13.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 54.409999999999997 110.261 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 117' ' ' GLU . 34.9 p -129.77 82.23 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 61.450000000000003 110.414 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -112.74 -29.86 7.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 75.129999999999995 111.027 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 75.540000000000006 110.966 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.478 0.18 . . . . 62.229999999999997 111.069 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 15.1 m -137.95 172.89 12.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 65.519999999999996 110.048 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.63 -55.89 0.6 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.133 . . . . 43.009999999999998 111.02 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.78 143.2 14.09 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.035 -0.826 . . . . 53.43 111.035 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 335' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' B' ' 337' ' ' ASP . 2.3 m-20 -74.97 -21.65 59.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 0.762 . . . . 71.129999999999995 109.281 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 336' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' B' ' 337' ' ' ASP . 25.5 t0 46.78 27.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 73.319999999999993 109.34 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' B' ' 336' ' ' ASP . 0.0 OUTLIER 156.74 128.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 74.409999999999997 109.245 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.849 ' CE2' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -94.92 -154.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 108.009 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.768 HG22 ' HA ' ' A' ' 52' ' ' PHE . 14.6 t -89.86 147.17 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 75.25 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.5 114.99 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.310000000000002 109.548 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 0.758 HD22 HG21 ' A' ' 66' ' ' ILE . 6.4 mt -78.17 112.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 73.230000000000004 109.354 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 343' ' ' SER . 0.8 OUTLIER -70.48 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 62.219999999999999 109.994 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.699 ' O ' HG22 ' B' ' 346' ' ' VAL . 1.1 m 86.82 -9.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 53.030000000000001 109.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -28.04 15.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 71.409999999999997 109.325 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.53 -6.77 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 61.520000000000003 110.321 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.699 HG22 ' O ' ' B' ' 343' ' ' SER . 22.8 m -64.94 175.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 73.120000000000005 109.25 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 64.450000000000003 109.304 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.013 -0.365 . . . . 54.43 110.013 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtp -53.48 152.96 8.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 74.030000000000001 111.018 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -79.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 72.219999999999999 110.97 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -100.25 -177.64 3.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 60.340000000000003 110.026 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -138.82 178.34 7.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.450000000000003 110.309 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -88.41 174.44 8.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 65.129999999999995 109.342 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.3 p -99.48 149.44 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 52.200000000000003 110.399 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.655 ' CZ ' HG21 ' A' ' 50' ' ' THR . 39.5 m-85 -35.49 -34.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 75.299999999999997 111.042 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.8 pttt -67.43 -54.5 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' THR . 38.5 mt-30 -72.28 -57.05 4.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 60.229999999999997 110.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.518 ' C ' ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -35.31 -71.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 63.539999999999999 110.229 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -77.08 135.46 38.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 70.400000000000006 110.267 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' GLN . 4.2 m -75.82 122.92 24.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 61.509999999999998 109.994 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.1 t80 -37.59 -63.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 71.109999999999999 111.015 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -38.87 1.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 110.328 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.2 tp-100 -74.99 -40.54 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 110.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' PHE . 26.5 mtp85 -64.85 -27.02 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 73.109999999999999 110.362 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.879 HG22 ' HA ' ' A' ' 106' ' ' ASP . 90.1 t -76.53 -32.88 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.239999999999995 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.63 -35.74 45.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 110.272 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 51.310000000000002 109.235 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -56.76 -40.89 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 71.230000000000004 109.305 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -40.23 -35.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 73.349999999999994 110.243 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -50.78 63.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 64.329999999999998 109.32 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.854 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -65.6 -24.18 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 73.030000000000001 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -32.77 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.040000000000006 110.281 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.53 -19.56 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 75.540000000000006 110.235 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -90.94 -58.8 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 74.230000000000004 110.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -119.91 79.1 24.34 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 74.540000000000006 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.23 6.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 74.040000000000006 110.98 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.99 30.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.209999999999994 110.347 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 8.6 mmtp -136.03 149.77 48.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 74.25 109.354 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 20.4 mm -98.34 112.76 62.99 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 63.340000000000003 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.04 139.19 23.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 60.009999999999998 110.993 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG22 ' HB2' ' A' ' 52' ' ' PHE . 2.7 m -146.29 161.49 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 41.310000000000002 109.331 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.455 ' CG2' ' OE1' ' A' ' 36' ' ' GLU . 2.8 mm -129.79 101.81 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 63.119999999999997 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.572 HG22 ' HD2' ' A' ' 113' ' ' TYR . 2.5 mm -86.27 118.95 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 64.400000000000006 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.551 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 34.4 mt-10 -125.76 154.66 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.349999999999994 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -71.68 137.94 48.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 73.239999999999995 110.366 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.791 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.2 t80 -62.37 145.18 54.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 54.109999999999999 110.984 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -59.19 98.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.549999999999997 109.327 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.84 13.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' OE1' ' HB1' ' A' ' 114' ' ' ALA . 8.8 tp10 -86.32 104.84 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 62.140000000000001 110.353 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -28.85 7.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 64.400000000000006 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -62.21 -74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 65.430000000000007 110.348 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 115' ' ' SER . 2.5 mm? -54.56 150.96 15.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.96 179.52 5.99 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.527 1.803 . . . . 72.019999999999996 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.6 19.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 71.25 109.288 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.621 HD23 HD21 ' A' ' 71' ' ' LEU . 0.2 OUTLIER 59.03 155.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 70.209999999999994 109.256 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.566 ' H ' HD13 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -75.37 -7.83 55.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 65.120000000000005 109.234 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 159.87 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 64.030000000000001 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.655 HG21 ' CZ ' ' A' ' 7' ' ' PHE . 3.1 m -105.73 -26.67 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 64.230000000000004 110.359 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 11.0 mtmm -93.27 138.2 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.5 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.822 ' HA ' HG22 ' B' ' 339' ' ' THR . 14.2 m-85 -139.88 148.1 41.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 64.540000000000006 111.066 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.683 HD21 HG12 ' A' ' 23' ' ' ILE . 26.4 mt -119.04 104.38 10.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 70.040000000000006 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 95' ' ' ILE . 2.3 t -91.98 141.99 25.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 54.109999999999999 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.592 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.03 136.27 20.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 72.209999999999994 110.974 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 4.2 p-10 -83.98 49.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 73.209999999999994 109.352 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.8 p80 -155.85 27.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 74.420000000000002 109.592 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 m -143.0 -160.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 63.399999999999999 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER -121.93 158.54 28.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 54.0 109.208 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.616 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.5 ppp? -54.45 -21.86 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 72.030000000000001 111.022 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.672 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -62.56 -29.92 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 60.520000000000003 110.038 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.27 -61.06 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 65.319999999999993 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 67' ' ' ILE . 3.2 tp -44.17 -28.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.349999999999994 109.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 1.8 mm -73.65 -54.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 62.299999999999997 109.293 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 42.3 mttt -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 65.209999999999994 109.311 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.03 HG21 HD13 ' B' ' 341' ' ' LEU . 2.7 mm -77.8 -60.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 63.229999999999997 109.318 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.676 HG12 HD12 ' A' ' 63' ' ' LEU . 16.0 mm -43.4 -61.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.109999999999999 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 22.9 ptt180 -50.42 -40.49 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 75.109999999999999 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.69 HH21 ' HB2' ' B' ' 347' ' ' ASP . 3.9 mmt180 -66.58 -31.41 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -34.28 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 71.150000000000006 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.626 HD22 ' HD2' ' A' ' 45' ' ' PRO . 2.7 mt -81.8 -19.38 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 72.230000000000004 109.356 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' CG ' ' C ' ' A' ' 71' ' ' LEU . 7.9 pt20 40.21 44.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 110.271 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.626 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -76.49 176.72 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 60.030000000000001 109.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -112.0 166.78 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 74.200000000000003 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.02 -43.67 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 44.43 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -50.66 -36.14 34.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.626 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.1 tp60 -89.13 138.19 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 75.299999999999997 110.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.59 138.86 45.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 75.299999999999997 109.265 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 2.1 t80 -130.97 127.63 38.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 111.068 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.3 m-85 -134.13 116.29 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 53.43 110.963 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.628 ' C ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -90.49 123.26 34.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 70.099999999999994 109.239 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.711 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.51 116.12 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.120000000000005 109.275 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.616 HG21 ' CE ' ' A' ' 60' ' ' MET . 2.5 t -84.78 109.56 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.329999999999998 109.308 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.57 10.41 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.329999999999998 109.345 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.85 4.79 45.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.147 . . . . 61.149999999999999 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.5 p80 -127.02 131.07 51.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 74.019999999999996 109.64 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.501 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.53 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 72.540000000000006 109.991 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -113.62 41.64 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 73.310000000000002 111.01 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.643 HG12 ' OE2' ' A' ' 117' ' ' GLU . 3.1 m -38.38 -31.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 72.209999999999994 109.282 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.8 m -123.74 102.62 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 43.149999999999999 110.058 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.672 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -108.01 88.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.430000000000007 109.278 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -127.08 18.51 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 110.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.638 HG22 HG23 ' A' ' 98' ' ' VAL . 15.5 m -128.02 145.14 54.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.010000000000005 110.467 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.0 138.47 23.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 74.200000000000003 110.978 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.713 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -47.06 -25.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 74.510000000000005 109.336 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.477 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 79.1 p -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 73.109999999999999 110.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' PRO . 36.9 mt-10 -80.88 -54.6 5.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 110.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.638 HG23 HG22 ' A' ' 93' ' ' THR . 7.4 t -43.37 -31.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 73.030000000000001 109.312 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HA ' HD11 ' A' ' 109' ' ' LEU . 1.3 t80 -81.09 -45.42 16.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.32 -4.36 29.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 74.239999999999995 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -112.89 -6.99 13.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 63.149999999999999 109.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ARG . 14.2 mm-40 -124.79 -57.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.099999999999994 110.304 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -36.77 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 73.510000000000005 110.264 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 1.1 m-20 -102.58 -178.86 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 52.109999999999999 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.41 -42.55 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.25 110.308 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.879 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -44.75 -45.96 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 72.310000000000002 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.67 13.65 29.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 33.439999999999998 111.024 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.787 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -115.35 130.93 57.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 73.310000000000002 110.972 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 109' ' ' LEU . 2.5 mt -83.37 141.35 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 71.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.12 112.49 20.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 75.439999999999998 111.023 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.555 ' SD ' HD21 ' A' ' 63' ' ' LEU . 19.6 mtt -124.31 152.84 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.010000000000005 110.955 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.6 t -129.05 127.08 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.378 1.049 . . . . 73.329999999999998 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.572 ' HD2' HG22 ' A' ' 35' ' ' ILE . 18.2 p90 -115.67 154.65 29.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 73.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.791 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -169.03 179.75 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 24.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.463 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -87.15 23.56 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 63.340000000000003 109.997 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -148.59 149.71 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 70.450000000000003 110.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.643 ' OE2' HG12 ' A' ' 89' ' ' VAL . 4.9 tt0 -123.86 -1.43 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 54.409999999999997 110.231 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.1 p -136.63 88.03 2.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 61.450000000000003 110.415 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 2.7 p90 -116.55 -31.88 5.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 75.129999999999995 110.974 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 75.540000000000006 111.018 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 2.9 ptp . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.593 0.235 . . . . 62.229999999999997 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 2.6 p -128.7 47.08 2.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 65.519999999999996 109.936 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -74.51 106.71 2.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.563 1.165 . . . . 43.009999999999998 111.004 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 68.52 148.91 0.21 Allowed Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.022 -0.831 . . . . 53.43 111.022 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.87 13.03 9.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 71.129999999999995 109.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -47.69 -29.42 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 73.319999999999993 109.264 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -132.81 112.57 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 74.409999999999997 109.329 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 338' ' ' TRP . . . . . 0.854 ' NE1' HD13 ' A' ' 23' ' ' ILE . 5.8 m0 -62.93 -153.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 73.140000000000001 108.043 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 339' ' ' THR . . . . . 0.822 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -85.83 -171.14 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.25 110.377 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 340' ' ' HIS . . . . . 0.65 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -137.95 115.87 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 75.310000000000002 109.615 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 341' ' ' LEU . . . . . 1.03 HD13 HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -89.58 97.14 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 73.230000000000004 109.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 342' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -97.85 121.37 39.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 62.219999999999999 110.014 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 343' ' ' SER . . . . . 0.684 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.6 p -78.01 -1.07 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 53.030000000000001 110.021 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 344' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -92.13 -27.22 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 71.409999999999997 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.64 -1.89 44.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 61.520000000000003 110.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 346' ' ' VAL . . . . . 0.684 HG22 ' O ' ' B' ' 343' ' ' SER . 3.6 m -81.5 178.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 73.120000000000005 109.299 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 347' ' ' ASP . . . . . 0.69 ' HB2' HH21 ' A' ' 69' ' ' ARG . 20.3 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 64.450000000000003 109.36 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.467 0.175 . . . . 71.109999999999999 110.991 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -43.68 -43.41 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 72.439999999999998 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 15' ' ' GLN . 4.2 mp0 -69.57 -34.81 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 75.040000000000006 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' PHE . 16.1 tpp180 -77.03 -17.39 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.109999999999999 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.819 HG22 ' HA ' ' A' ' 106' ' ' ASP . 71.3 t -87.82 -42.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 72.239999999999995 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -61.47 -48.79 79.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.549999999999997 110.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.32 -36.51 6.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 51.310000000000002 109.319 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.612 HG23 ' CD2' ' A' ' 108' ' ' PHE . 2.4 t -69.95 -44.54 78.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 71.230000000000004 109.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -38.71 -48.31 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 73.349999999999994 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -54.71 -55.93 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 64.329999999999998 109.319 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.661 HD11 HD11 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -60.1 -25.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 73.030000000000001 109.357 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -76.75 -34.25 58.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 74.040000000000006 110.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -96.73 -4.93 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 75.540000000000006 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 33.1 mt-30 -113.71 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 74.230000000000004 110.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 8.5 m-70 -117.49 80.54 13.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 74.540000000000006 109.619 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -31.42 6.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 74.040000000000006 111.015 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 p -90.09 29.62 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.35 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -134.7 145.64 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 74.25 109.287 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 99' ' ' TYR . 14.2 mm -99.64 117.75 63.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 63.340000000000003 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.512 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -75.0 138.78 23.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 60.009999999999998 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.61 153.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 41.310000000000002 109.274 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 108' ' ' PHE . 25.1 mm -122.11 98.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 63.119999999999997 109.262 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.893 HD13 HD11 ' A' ' 67' ' ' ILE . 20.3 mt -96.37 125.88 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 64.400000000000006 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.58 ' OE1' HG23 ' A' ' 50' ' ' THR . 9.0 mm-40 -142.69 162.03 36.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.349999999999994 110.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.71 141.28 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 73.239999999999995 110.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.85 139.08 56.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 54.109999999999999 110.992 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 8.2 mtmp? -55.26 94.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 73.549999999999997 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.06 19.85 7.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 74.450000000000003 111.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.694 ' CD ' ' HB1' ' A' ' 114' ' ' ALA . 8.7 tp10 -84.81 115.13 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 0.731 . . . . 62.140000000000001 110.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -113.73 -12.54 12.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 64.400000000000006 109.283 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -74.13 -86.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 65.430000000000007 110.275 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 79' ' ' PHE . 19.4 mt -54.77 143.91 48.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 74.319999999999993 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.03 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.813 . . . . 72.019999999999996 111.008 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 46' ' ' VAL . 3.1 p -73.63 115.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 71.25 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.619 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.36 150.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 70.209999999999994 109.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.533 ' H ' HD13 ' A' ' 47' ' ' LEU . 38.0 t0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 65.120000000000005 109.328 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -132.81 165.7 23.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 64.030000000000001 109.275 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.58 HG23 ' OE1' ' A' ' 36' ' ' GLU . 2.3 m -102.68 -33.71 9.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 64.230000000000004 110.392 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HB3' ' CE3' ' B' ' 338' ' ' TRP . 22.2 mtmm -96.05 137.71 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 74.5 109.296 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HB3' HD21 ' B' ' 341' ' ' LEU . 29.4 m-85 -139.05 130.28 26.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 64.540000000000006 110.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.661 HD11 HD11 ' A' ' 23' ' ' ILE . 3.5 mt -95.42 104.17 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 70.040000000000006 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.678 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -91.48 141.63 26.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 54.109999999999999 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.543 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.99 135.38 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 72.209999999999994 111.021 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 5.5 p-10 -87.11 46.01 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.858 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.17 21.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.625 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.858 HG13 ' ND1' ' A' ' 57' ' ' HIS . 35.0 m -137.15 -167.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -115.22 150.75 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 54.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.635 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.8 ppp? -44.73 -28.08 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 72.030000000000001 111.017 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.631 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -55.54 -50.8 69.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 60.520000000000003 109.993 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 11.1 mm-40 -43.65 -57.4 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 65.319999999999993 110.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 35' ' ' ILE . 8.6 tp -40.38 -38.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 75.349999999999994 109.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 64' ' ' ILE . 5.8 mm -63.05 -64.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 62.299999999999997 109.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.67 -22.86 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 65.209999999999994 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.87 ' CG2' HD13 ' B' ' 341' ' ' LEU . 2.7 mm -78.45 -47.04 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 63.229999999999997 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.893 HD11 HD13 ' A' ' 35' ' ' ILE . 14.6 mm -55.87 -55.37 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 74.109999999999999 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.538 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 14.0 mtp180 -40.58 -49.45 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 75.109999999999999 110.34 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' NH1' ' H ' ' B' ' 347' ' ' ASP . 8.7 mmp_? -53.5 -43.34 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 110.32 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -64.21 -53.35 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 71.150000000000006 110.32 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 47' ' ' LEU . 60.1 mt -66.72 -16.74 64.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 72.230000000000004 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' ARG . 24.8 pt20 38.57 56.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 73.519999999999996 110.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 mt -88.99 169.08 11.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 60.030000000000001 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -89.84 173.12 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 74.200000000000003 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.06 -8.19 53.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 44.43 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -92.31 -34.63 14.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 74.340000000000003 109.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.438 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -66.05 146.99 54.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.299999999999997 110.34 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.438 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -111.49 126.5 55.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.299999999999997 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.72 ' CE1' HG21 ' A' ' 67' ' ' ILE . 1.4 t80 -134.16 135.37 43.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 75.540000000000006 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 21.6 m-85 -143.23 117.08 9.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 53.43 110.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.604 HD12 HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -85.71 116.39 23.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 70.099999999999994 109.277 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.635 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -91.32 120.0 31.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.120000000000005 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.711 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.7 t -86.51 111.9 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 75.329999999999998 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.425 ' ND2' ' OE1' ' A' ' 102' ' ' GLU . 1.5 m-20 69.2 11.32 8.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.244 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.17 5.6 49.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 61.149999999999999 110.996 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 22.4 p80 -126.35 130.09 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 74.019999999999996 109.6 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.59 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.73 172.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 72.540000000000006 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.51 41.33 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.310000000000002 110.985 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -39.41 -30.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 72.209999999999994 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 m -120.59 103.21 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 43.149999999999999 110.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.635 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -107.48 89.65 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.266 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.2 m -127.25 16.42 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 74.420000000000002 109.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 98' ' ' VAL . 3.0 m -127.68 146.43 58.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 72.010000000000005 110.39 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.721 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.02 143.22 28.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 74.200000000000003 110.976 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.678 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -52.25 -21.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.510000000000005 109.321 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.4 p -70.63 -41.05 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.109999999999999 110.024 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 10.9 mm-40 -82.1 -52.32 7.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 93' ' ' THR . 3.2 t -45.98 -30.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 73.030000000000001 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.576 ' HB2' HG21 ' A' ' 31' ' ' ILE . 3.6 t80 -75.26 -56.44 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -71.79 -4.6 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.8 m -104.37 -3.43 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 63.149999999999999 109.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 14.8 mm-40 -134.32 -59.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 75.099999999999994 110.263 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 3.2 ppt_? -38.33 157.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 73.510000000000005 110.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -105.73 177.6 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 52.109999999999999 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -45.95 -33.47 3.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 74.25 110.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.819 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -45.87 -45.67 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 72.310000000000002 109.291 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.43 27.49 10.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 33.439999999999998 110.97 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -137.85 128.16 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 73.310000000000002 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 99' ' ' TYR . 4.5 mt -78.86 152.84 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 67.6 m-85 -134.92 107.44 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.439999999999998 110.986 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.711 ' SD ' HG22 ' A' ' 83' ' ' VAL . 7.5 mtt -124.85 143.01 51.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 64.010000000000005 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.6 t -115.54 123.19 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 73.329999999999998 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.528 ' CE2' HD23 ' A' ' 47' ' ' LEU . 13.4 p90 -103.21 152.44 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 73.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.694 ' HB1' ' CD ' ' A' ' 41' ' ' GLU . . . -171.48 177.3 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 24.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.0 t -91.58 29.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 63.340000000000003 109.99 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -149.87 120.67 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 70.450000000000003 110.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.508 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 5.4 tt0 -105.99 -6.4 18.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 54.409999999999997 110.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 61.450000000000003 110.411 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 74.409999999999997 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.755 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 6.7 m0 -69.64 -151.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 73.140000000000001 108.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.475 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 3.6 m -91.32 157.37 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.25 110.395 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 121.51 43.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.549 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.87 HD13 ' CG2' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -96.16 84.0 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 73.230000000000004 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -93.54 130.57 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 62.219999999999999 110.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.488 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.1 OUTLIER -88.81 9.75 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 53.030000000000001 109.999 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.06 -23.24 16.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 71.409999999999997 109.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.32 -0.66 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 343' ' ' SER . 4.4 m -77.43 167.96 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 73.120000000000005 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . 0.425 ' H ' ' NH1' ' A' ' 69' ' ' ARG . 31.2 t70 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.450000000000003 109.322 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.792 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.1 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.539 0.209 . . . . 71.109999999999999 111.045 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -52.51 -19.62 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 110.229 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -75.79 -41.28 53.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 75.040000000000006 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -79.47 -49.47 12.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 73.109999999999999 110.378 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.013 HG12 ' CB ' ' A' ' 106' ' ' ASP . 3.2 m -44.0 -41.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 72.239999999999995 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.84 -44.44 93.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' CG ' ' NZ ' ' A' ' 51' ' ' LYS . 2.4 t0 -54.12 -33.34 57.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 51.310000000000002 109.233 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.532 HG23 ' CD2' ' A' ' 108' ' ' PHE . 2.6 t -69.37 -44.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 71.230000000000004 109.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' VAL . 39.3 ttt85 -38.62 -41.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.349999999999994 110.258 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -68.23 -61.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 64.329999999999998 109.341 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.778 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -46.95 -25.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.030000000000001 109.3 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 8.5 mmm180 -79.71 -39.19 31.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 74.040000000000006 110.303 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.9 pt-20 -89.37 -4.38 58.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 75.540000000000006 110.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LEU . 66.2 mt-30 -111.25 -56.87 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.230000000000004 110.339 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.682 ' CG ' HD13 ' A' ' 53' ' ' LEU . 23.2 m-70 -117.64 80.09 13.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 74.540000000000006 109.633 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.503 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.94 -31.28 6.44 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.551 1.817 . . . . 74.040000000000006 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 p -90.18 28.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 72.209999999999994 110.415 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -136.13 147.19 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.25 109.274 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.704 ' HB ' HG13 ' A' ' 54' ' ' VAL . 29.6 mm -100.0 117.11 63.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 63.340000000000003 109.295 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.94 138.41 23.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 60.009999999999998 110.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.42 156.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 41.310000000000002 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 108' ' ' PHE . 25.4 mm -128.58 95.49 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 63.119999999999997 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.716 ' CD1' HD11 ' A' ' 67' ' ' ILE . 24.6 mt -93.84 120.35 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 64.400000000000006 109.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 2.2 mm-40 -128.47 166.93 17.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 73.349999999999994 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 ptt85 -77.26 138.89 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 73.239999999999995 110.385 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.06 139.13 55.27 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.569 1.168 . . . . 54.109999999999999 111.004 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 22.6 mtmm -57.32 96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 73.549999999999997 109.244 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.91 17.65 8.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 74.450000000000003 111.03 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.5 tp10 -105.66 107.3 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 62.140000000000001 110.258 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -31.31 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 64.400000000000006 109.219 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.424 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.9 mm-40 -39.17 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 65.430000000000007 110.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.594 HD11 ' CA ' ' A' ' 115' ' ' SER . 2.8 mt -58.41 151.68 48.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.319999999999993 109.289 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 165.12 32.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 72.019999999999996 111.093 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' LEU . 2.6 p -73.71 114.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 71.25 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.483 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.26 141.89 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 70.209999999999994 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.483 ' H ' HD13 ' A' ' 47' ' ' LEU . 2.6 m-20 -40.55 -39.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.244 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -159.3 -171.14 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 64.030000000000001 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.405 HG22 ' HG2' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -114.5 -28.45 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 64.230000000000004 110.388 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 6.7 mtmt -90.61 130.13 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 74.5 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HA ' HG22 ' B' ' 339' ' ' THR . 59.3 m-85 -140.18 136.9 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 64.540000000000006 110.986 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 27' ' ' HIS . 8.9 mt -105.07 103.16 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 70.040000000000006 109.233 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.732 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.1 p -95.84 143.85 26.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.441 1.088 . . . . 54.109999999999999 109.3 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.98 130.42 13.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 72.209999999999994 110.974 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.34 52.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.209999999999994 109.266 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.803 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.57 21.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 74.420000000000002 109.622 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.803 HG13 ' ND1' ' A' ' 57' ' ' HIS . 34.1 m -138.28 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 63.399999999999999 109.344 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -110.98 162.18 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 54.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.563 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -58.89 -25.18 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 72.030000000000001 111.041 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.524 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -58.7 -50.56 73.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 60.520000000000003 110.052 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' LYS . 11.0 mm-40 -42.28 -52.48 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.319999999999993 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 35' ' ' ILE . 4.8 tp -47.4 -39.89 16.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' SER . 8.1 mm -59.46 -39.61 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 62.299999999999997 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 68.9 mttt -72.9 -37.98 67.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 65.209999999999994 109.225 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.923 HG21 ' HB3' ' B' ' 341' ' ' LEU . 15.5 mm -66.37 -30.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 63.229999999999997 109.299 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 35' ' ' ILE . 20.1 mm -77.1 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -44.71 -40.45 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 75.109999999999999 110.268 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.559 HH21 ' HB2' ' B' ' 347' ' ' ASP . 5.1 mmt180 -61.04 -37.42 82.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 73.230000000000004 110.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.0 mtt85 -69.02 -49.09 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 71.150000000000006 110.307 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.456 HD21 HD22 ' A' ' 47' ' ' LEU . 12.3 mt -61.57 -17.5 55.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 72.230000000000004 109.27 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 38.85 50.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.519999999999996 110.273 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.611 HD13 ' OE1' ' A' ' 77' ' ' GLN . 2.2 mt -79.52 -178.52 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 60.030000000000001 109.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.67 174.79 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 74.200000000000003 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.41 -24.24 62.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 44.43 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -77.58 -38.09 49.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.340000000000003 109.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.611 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 tm0? -64.97 143.48 57.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 110.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.577 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -112.61 139.79 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 75.299999999999997 109.337 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -142.29 137.05 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 111.025 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -143.16 134.93 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 53.43 110.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.31 114.24 26.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 70.099999999999994 109.306 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.2 mm? -92.49 109.69 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 74.120000000000005 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.895 HG22 ' SD ' ' A' ' 111' ' ' MET . 3.9 t -80.4 111.86 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.329999999999998 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.6 OUTLIER 69.4 8.42 6.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 73.329999999999998 109.325 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 11.41 35.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.456 1.098 . . . . 61.149999999999999 110.926 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 15.3 p80 -132.35 142.97 49.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 74.019999999999996 109.675 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.15 166.58 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 72.540000000000006 109.976 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.8 11.67 18.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 73.310000000000002 111.029 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.7 p -39.96 135.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.8 OUTLIER 86.44 21.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 43.149999999999999 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.563 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -38.72 99.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.321 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.1 m -132.36 15.52 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.420000000000002 109.995 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 90.1 m -130.11 143.27 48.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 72.010000000000005 110.383 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.01 144.51 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 74.200000000000003 110.95 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.511 HG21 ' CG2' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -54.55 -20.84 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.338 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.2 p -67.0 -38.25 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 109.955 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 100' ' ' GLU . 40.5 mt-10 -89.39 -51.67 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 74.430000000000007 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.1 t -42.77 -36.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.714 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.75 -37.23 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 73.420000000000002 111.012 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 pt-20 -79.49 -4.02 49.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 74.239999999999995 110.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.45 5.81 13.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.149999999999999 110.045 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ARG . 10.2 mm-40 -135.49 -51.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 75.099999999999994 110.344 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.49 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.6 ppt_? -36.22 153.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 73.510000000000005 110.238 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -110.16 -179.41 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 52.109999999999999 109.277 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -38.71 -53.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.25 110.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 1.013 ' CB ' HG12 ' A' ' 17' ' ' VAL . 23.6 p-10 -44.65 -49.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 72.310000000000002 109.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 101.67 23.84 9.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 33.439999999999998 111.026 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.732 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.64 131.28 56.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 0.765 . . . . 73.310000000000002 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.29 141.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 71.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -126.42 107.58 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 75.439999999999998 110.984 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.895 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.7 mtt -131.39 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 64.010000000000005 111.038 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.7 t -103.82 134.49 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 73.329999999999998 109.358 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 2.7 p90 -112.9 143.92 43.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 73.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -156.71 178.36 10.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 24.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.594 ' CA ' HD11 ' A' ' 44' ' ' LEU . 30.2 t -88.77 18.28 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 63.340000000000003 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -150.09 150.38 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 70.450000000000003 110.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 2.7 tt0 -123.92 -1.82 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 54.409999999999997 110.221 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.450000000000003 110.417 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.314 -0.624 . . . . 74.409999999999997 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.778 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.6 m0 -78.74 -153.58 0.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.54 1.15 . . . . 73.140000000000001 107.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -94.19 160.57 14.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 75.25 110.36 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . 0.413 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.1 OUTLIER -112.33 130.87 55.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 75.310000000000002 109.558 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.923 ' HB3' HG21 ' A' ' 66' ' ' ILE . 6.0 mt -97.63 113.61 25.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.484 1.115 . . . . 73.230000000000004 109.302 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -105.25 130.95 53.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 62.219999999999999 110.054 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.578 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -84.05 3.92 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 53.030000000000001 110.006 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.425 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -94.63 -29.57 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 71.409999999999997 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.59 -0.68 43.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 61.520000000000003 110.345 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.599 HG12 HD13 ' A' ' 66' ' ' ILE . 4.8 m -75.62 -176.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 109.354 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . 0.559 ' HB2' HH21 ' A' ' 69' ' ' ARG . 35.2 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 64.450000000000003 109.284 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.4 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.516 0.198 . . . . 71.109999999999999 111.045 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.99 -39.91 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 72.439999999999998 110.274 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 75.040000000000006 110.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.494 ' CD ' ' OH ' ' A' ' 110' ' ' TYR . 18.2 ttm105 -74.57 -60.21 2.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 106' ' ' ASP . 97.7 t -45.09 -29.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 72.239999999999995 109.333 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -81.66 -40.01 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 74.549999999999997 110.243 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ARG . 13.5 t70 -60.83 -31.4 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 51.310000000000002 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.76 -37.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 71.230000000000004 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -42.84 -41.47 3.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 73.349999999999994 110.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.5 mt -64.48 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 64.329999999999998 109.29 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.67 HD11 HD11 ' A' ' 53' ' ' LEU . 1.1 tp -48.72 -24.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 73.030000000000001 109.236 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -81.23 -35.65 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.040000000000006 110.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.3 pt-20 -91.25 -5.13 55.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 75.540000000000006 110.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 32.3 mt-30 -114.84 -54.99 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 74.230000000000004 110.353 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.6 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 21.7 m-70 -117.76 80.39 13.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 74.540000000000006 109.635 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -31.45 6.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 74.040000000000006 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -90.0 29.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 72.209999999999994 110.416 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.07 148.21 49.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 74.25 109.29 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.731 HG23 ' CD2' ' A' ' 99' ' ' TYR . 16.4 mm -103.27 116.98 61.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 63.340000000000003 109.323 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.58 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.96 133.87 17.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.548 1.815 . . . . 60.009999999999998 111.031 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.437 HG12 ' HB2' ' A' ' 109' ' ' LEU . 4.3 m -139.54 155.09 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 41.310000000000002 109.243 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.657 HG23 HG22 ' A' ' 50' ' ' THR . 8.3 mm -123.43 98.76 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 63.119999999999997 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.871 HD12 HD11 ' A' ' 81' ' ' LEU . 4.3 mm -88.36 113.88 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 64.400000000000006 109.279 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' OE1' ' CG2' ' A' ' 34' ' ' ILE . 73.0 mt-10 -124.84 157.46 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 73.349999999999994 110.34 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.43 142.3 50.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.239999999999995 110.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -64.88 138.78 58.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 54.109999999999999 110.977 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 ptmm? -56.72 100.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.549999999999997 109.297 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.86 17.96 11.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 110.979 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 43' ' ' GLN . 7.4 tp10 -103.56 109.18 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 62.140000000000001 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 -37.14 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 64.400000000000006 109.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 51.3 mt-30 -38.88 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 65.430000000000007 110.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 73' ' ' LEU . 5.0 mt -57.87 150.71 47.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.518 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.93 167.48 26.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.469 1.773 . . . . 72.019999999999996 111.016 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -81.5 118.43 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 71.25 109.309 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.585 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -42.57 144.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 70.209999999999994 109.295 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.585 ' H ' HD13 ' A' ' 47' ' ' LEU . 11.0 t0 -46.1 -44.48 15.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 65.120000000000005 109.245 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.19 -174.58 4.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 64.030000000000001 109.249 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 35' ' ' ILE . 2.3 m -113.48 -25.78 8.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 64.230000000000004 110.429 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 7.9 mtmt -87.69 128.95 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.5 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.638 ' HA ' HG22 ' B' ' 339' ' ' THR . 96.6 m-85 -140.53 130.32 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 64.540000000000006 111.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.67 HD11 HD11 ' A' ' 23' ' ' ILE . 2.5 mt -96.46 104.4 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 70.040000000000006 109.355 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.2 p -102.21 143.58 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 54.109999999999999 109.338 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 136.01 19.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 72.209999999999994 110.99 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -87.54 46.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.764 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.2 22.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.617 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.764 HG13 ' ND1' ' A' ' 57' ' ' HIS . 35.6 m -134.62 -166.21 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 63.399999999999999 109.27 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.7 147.64 37.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 54.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.6 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.2 ppp? -46.17 -25.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.674 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -56.41 -54.83 41.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 60.520000000000003 110.019 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.26 -57.15 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 65.319999999999993 110.28 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.941 HD12 HD11 ' A' ' 95' ' ' ILE . 1.1 tt -40.68 -42.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 75.349999999999994 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.75 -54.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 62.299999999999997 109.338 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -57.32 -19.26 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 109.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.893 ' CG2' HD13 ' B' ' 341' ' ' LEU . 2.8 mm -85.06 -39.42 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 63.229999999999997 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.601 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.7 mm -67.55 -52.88 36.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.109999999999999 109.261 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.4 -21.99 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 75.109999999999999 110.216 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.439 HH21 ' HB2' ' B' ' 347' ' ' ASP . 4.6 mmt180 -77.2 -29.15 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.230000000000004 110.253 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.579 ' CB ' HD11 ' A' ' 47' ' ' LEU . 7.5 mmm180 -77.23 -39.85 47.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 71.150000000000006 110.313 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD22 ' HD2' ' A' ' 45' ' ' PRO . 9.0 mt -77.65 -6.59 54.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.177 . . . . 72.230000000000004 109.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 38.7 44.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.318 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.894 HD22 ' HG2' ' A' ' 77' ' ' GLN . 11.6 mt -83.62 174.66 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 60.030000000000001 109.373 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -131.17 -171.65 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 74.200000000000003 109.324 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.69 78.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 44.43 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -60.81 -38.76 86.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.298 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.894 ' HG2' HD22 ' A' ' 73' ' ' LEU . 50.1 tp60 -93.77 138.02 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 110.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.25 135.11 46.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 75.299999999999997 109.279 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.601 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -136.25 133.42 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 75.540000000000006 110.959 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.513 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.4 m-85 -143.42 115.6 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 53.43 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.871 HD11 HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -84.95 114.62 22.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 70.099999999999994 109.262 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -86.95 116.44 25.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.120000000000005 109.245 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 12.0 t -76.58 104.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 75.329999999999998 109.246 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.461 ' CB ' ' NE2' ' A' ' 86' ' ' HIS . 1.4 m-20 69.89 8.24 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 73.329999999999998 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.23 -2.38 26.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 61.149999999999999 111.048 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 3.3 p80 -119.17 127.02 52.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 0.813 . . . . 74.019999999999996 109.607 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.497 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.48 172.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 72.540000000000006 109.983 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -118.32 42.22 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.310000000000002 110.964 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -38.57 -31.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.209999999999994 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.5 m -121.43 103.44 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 43.149999999999999 109.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.674 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -107.31 88.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -126.84 17.55 7.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 74.420000000000002 110.077 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.599 HG23 ' HD2' ' A' ' 94' ' ' PRO . 19.2 m -127.53 144.88 52.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.010000000000005 110.358 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.04 138.66 23.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 74.200000000000003 110.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -47.23 -26.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.510000000000005 109.26 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 94' ' ' PRO . 95.9 p -61.49 -43.68 98.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 109.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -81.13 -55.85 4.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 74.430000000000007 110.324 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 93' ' ' THR . 3.9 t -41.69 -30.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.731 ' CD2' HG23 ' A' ' 31' ' ' ILE . 1.5 t80 -81.13 -47.36 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 73.420000000000002 110.956 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.34 -4.35 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 74.239999999999995 110.298 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -111.22 -11.24 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 63.149999999999999 110.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 109' ' ' LEU . 55.0 mm-40 -121.09 -57.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 75.099999999999994 110.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.1 ppt_? -37.55 152.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 73.510000000000005 110.27 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.31 -175.19 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 52.109999999999999 109.262 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 42.8 mt-10 -45.38 -46.6 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 74.25 110.308 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.763 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -39.96 -49.51 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.310000000000002 109.34 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 103.45 0.23 46.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 33.439999999999998 110.985 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.654 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -108.29 134.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 73.310000000000002 110.946 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.4 mt -79.0 148.6 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 71.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.494 ' OH ' ' CD ' ' A' ' 16' ' ' ARG . 96.8 m-85 -125.56 112.18 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.439999999999998 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.595 ' HB3' HD22 ' A' ' 81' ' ' LEU . 15.9 mtt -127.42 148.39 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 64.010000000000005 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.529 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.4 t -126.83 115.89 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 73.329999999999998 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.531 ' HD2' HG22 ' A' ' 35' ' ' ILE . 5.4 p90 -100.42 156.31 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 73.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.462 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -176.17 178.28 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 24.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.53 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.4 t -90.63 32.33 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.340000000000003 110.046 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -149.87 123.06 8.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 70.450000000000003 110.338 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.513 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 6.0 tt0 -111.58 -7.59 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 54.409999999999997 110.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 61.450000000000003 110.423 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 74.409999999999997 109.307 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.654 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 4.8 m0 -69.01 -154.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 73.140000000000001 108.032 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -95.81 159.3 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 75.25 110.402 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 132.09 45.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 75.310000000000002 109.58 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.893 HD13 ' CG2' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -100.14 85.72 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 109.252 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.0 120.1 32.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 62.219999999999999 109.985 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' B' ' 343' ' ' SER . 0.0 OUTLIER -86.67 13.75 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 53.030000000000001 109.983 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 -24.6 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 71.409999999999997 109.314 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -89.53 -0.47 57.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 61.520000000000003 110.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.405 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 3.0 m -82.85 167.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 73.120000000000005 109.33 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . 0.439 ' HB2' HH21 ' A' ' 69' ' ' ARG . 24.8 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 64.450000000000003 109.253 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.49 0.186 . . . . 71.109999999999999 110.983 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.74 -29.3 66.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 110.29 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -82.46 -29.09 30.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.329 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.582 HH21 ' HD1' ' A' ' 13' ' ' PHE . 38.9 ttp180 -83.43 -23.66 32.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 73.109999999999999 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.898 HG22 ' HA ' ' A' ' 106' ' ' ASP . 72.8 t -81.82 -34.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 72.239999999999995 109.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 15.7 pt-20 -75.66 -42.9 50.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 74.549999999999997 110.383 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -50.47 -46.17 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 51.310000000000002 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -61.96 -44.72 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 71.230000000000004 109.348 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.414 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 12.6 ttm180 -38.53 -46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 73.349999999999994 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.8 mt -61.1 -49.31 77.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.589 1.181 . . . . 64.329999999999998 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.798 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.2 tp -61.59 -22.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.141 . . . . 73.030000000000001 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -82.06 -37.11 26.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 74.040000000000006 110.381 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -88.16 -12.88 42.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.540000000000006 110.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 67.2 mt-30 -104.92 -51.21 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 74.230000000000004 110.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 10.5 m-70 -122.34 77.03 44.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.540000000000006 109.554 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.2 8.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.542 1.812 . . . . 74.040000000000006 110.998 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.4 p -90.54 25.67 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 72.209999999999994 110.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.47 149.8 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.25 109.227 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.663 HG23 ' CD2' ' A' ' 99' ' ' TYR . 16.0 mm -101.52 116.68 63.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 63.340000000000003 109.361 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.628 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 139.36 24.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 60.009999999999998 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 52' ' ' PHE . 1.5 m -143.82 159.44 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 41.310000000000002 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.486 HG13 ' CD1' ' A' ' 108' ' ' PHE . 2.8 mm -136.78 95.81 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 63.119999999999997 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.81 HD13 HD11 ' A' ' 67' ' ' ILE . 14.3 mt -89.01 127.78 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 64.400000000000006 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -129.65 152.87 48.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 73.349999999999994 110.301 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -64.86 136.16 56.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 73.239999999999995 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.501 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 11.7 t80 -59.89 148.85 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 54.109999999999999 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.406 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.7 ptpp? -69.6 93.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 73.549999999999997 109.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.67 21.22 6.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -109.45 111.14 22.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 62.140000000000001 110.258 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 -31.04 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 64.400000000000006 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -42.65 -81.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 65.430000000000007 110.36 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.599 HD12 ' C ' ' A' ' 114' ' ' ALA . 14.2 mt -55.91 143.03 62.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 74.319999999999993 109.26 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -75.01 167.01 27.99 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.532 1.806 . . . . 72.019999999999996 111.045 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.79 117.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 71.25 109.271 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.603 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.33 146.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.16 . . . . 70.209999999999994 109.248 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.603 ' H ' HD13 ' A' ' 47' ' ' LEU . 13.7 t0 -52.07 -45.91 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 65.120000000000005 109.245 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 175.68 9.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 64.030000000000001 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -108.47 -25.99 10.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 64.230000000000004 110.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 8.7 mtmm -97.79 132.16 43.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 74.5 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.638 ' HB3' HD11 ' B' ' 341' ' ' LEU . 29.8 m-85 -139.69 138.07 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 64.540000000000006 111.008 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 7.6 mt -103.99 104.21 14.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 70.040000000000006 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.755 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -88.29 141.61 30.95 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 54.109999999999999 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 132.69 15.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 72.209999999999994 110.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -86.71 46.0 1.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.906 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -148.8 19.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 74.420000000000002 109.555 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.906 HG13 ' ND1' ' A' ' 57' ' ' HIS . 33.0 m -137.09 -165.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 63.399999999999999 109.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -117.03 150.51 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 54.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.628 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -46.13 -24.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 72.030000000000001 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.677 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -58.05 -56.16 25.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 60.520000000000003 110.002 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' OE1' HG11 ' A' ' 58' ' ' VAL . 21.8 mt-10 -42.05 -50.07 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 65.319999999999993 110.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -44.21 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 75.349999999999994 109.247 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 64' ' ' ILE . 5.8 mm -57.8 -41.51 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 62.299999999999997 109.302 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' GLU . 60.6 mtpt -67.06 -35.64 80.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 65.209999999999994 109.31 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.932 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.6 mm -67.76 -38.88 81.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 63.229999999999997 109.346 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.81 HD11 HD13 ' A' ' 35' ' ' ILE . 19.8 mm -68.69 -69.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 74.109999999999999 109.27 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 110.345 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 67' ' ' ILE . 2.5 mmp_? -69.96 -49.72 48.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 73.230000000000004 110.24 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -58.36 -35.4 71.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.61 1.194 . . . . 71.150000000000006 110.327 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.642 HD22 ' HD2' ' A' ' 45' ' ' PRO . 6.1 mt -82.36 -16.73 48.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 72.230000000000004 109.368 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' LEU . 19.6 pt20 38.6 47.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.283 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.886 HD22 ' HG2' ' A' ' 77' ' ' GLN . 4.4 mt -80.05 -179.98 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 60.030000000000001 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -120.31 -175.17 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 74.200000000000003 109.268 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -36.06 82.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 44.43 109.276 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.41 -39.5 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 74.340000000000003 109.328 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.886 ' HG2' HD22 ' A' ' 73' ' ' LEU . 35.4 tp60 -87.08 119.08 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.13 140.95 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.299999999999997 109.306 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -141.21 134.5 29.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 75.540000000000006 111.071 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.502 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.8 m-85 -142.98 129.29 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 53.43 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -94.58 118.63 31.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 70.099999999999994 109.279 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.662 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -95.41 117.03 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.292 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.866 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.6 t -86.27 112.24 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.256 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.1 m-20 69.24 11.77 8.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 73.329999999999998 109.309 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.56 6.53 50.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 61.149999999999999 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 20.3 p80 -127.47 130.01 48.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 74.019999999999996 109.604 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.561 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.36 172.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 72.540000000000006 110.014 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.443 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -120.54 42.24 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.077 . . . . 73.310000000000002 111.067 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.564 HG12 ' OE1' ' A' ' 117' ' ' GLU . 3.2 m -39.8 -30.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.4 m -117.74 104.46 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 43.149999999999999 109.964 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.677 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -108.43 87.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.14 . . . . 73.430000000000007 109.314 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.0 t -124.31 18.39 9.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.577 HG23 ' HD2' ' A' ' 94' ' ' PRO . 21.9 m -131.01 144.59 54.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 72.010000000000005 110.378 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.02 142.74 28.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.517 1.799 . . . . 74.200000000000003 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.922 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -51.31 -22.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 p -68.2 -41.01 82.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 109.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 28.6 mm-40 -82.97 -53.57 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 110.242 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.551 HG23 HG22 ' A' ' 93' ' ' THR . 5.1 t -42.85 -34.96 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 73.030000000000001 109.331 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.687 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.45 -39.35 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 73.420000000000002 111.025 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.9 pt-20 -78.05 -4.17 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.239999999999995 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.46 5.36 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 63.149999999999999 110.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ARG . 6.4 mm-40 -136.56 -53.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 75.099999999999994 110.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -35.66 152.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 73.510000000000005 110.327 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -108.67 -175.04 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 52.109999999999999 109.297 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -49.99 -29.82 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.25 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.898 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 72.310000000000002 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.28 36.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 33.439999999999998 111.041 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.79 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.7 OUTLIER -111.82 129.25 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 0.757 . . . . 73.310000000000002 111.076 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.687 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.49 135.66 37.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.458 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.5 m-85 -117.25 107.7 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 111.035 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.866 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.6 mtt -132.96 135.0 45.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 64.010000000000005 111.008 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.9 t -106.67 135.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 5.9 p90 -111.4 153.67 25.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 73.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.599 ' C ' HD12 ' A' ' 44' ' ' LEU . . . -163.55 177.94 8.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 24.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.406 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.1 p -89.9 19.9 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.340000000000003 110.015 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -150.03 150.07 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 70.450000000000003 110.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 2.6 tt0 -123.97 -1.74 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 54.409999999999997 110.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 61.450000000000003 110.45 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.26 -0.644 . . . . 74.409999999999997 109.26 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.798 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.5 m0 -91.32 -152.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.140000000000001 107.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -96.32 160.03 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.25 110.373 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 125.37 53.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 75.310000000000002 109.581 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.932 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -92.14 92.73 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 73.230000000000004 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -86.02 130.85 34.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.114 . . . . 62.219999999999999 109.945 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.19 5.92 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 53.030000000000001 109.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -98.82 -23.18 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 71.409999999999997 109.299 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -87.11 -0.64 56.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 61.520000000000003 110.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.61 HG12 HD13 ' A' ' 66' ' ' ILE . 3.7 m -76.52 -179.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.339 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 64.450000000000003 109.244 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.646 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.2 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.49 0.186 . . . . 71.109999999999999 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 32.5 mt-10 -55.64 -35.55 66.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 72.439999999999998 110.311 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -66.95 -41.48 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 75.040000000000006 110.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.631 ' NH1' ' CE1' ' A' ' 110' ' ' TYR . 59.4 mtm180 -66.44 -60.41 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 73.109999999999999 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 106' ' ' ASP . 3.7 p -48.21 -57.1 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 72.239999999999995 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.549 ' H ' HG13 ' A' ' 17' ' ' VAL . 49.9 tt0 -41.11 -28.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 74.549999999999997 110.356 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' VAL . 3.7 t70 -74.53 -55.27 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 51.310000000000002 109.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.921 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.21 -42.69 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 71.230000000000004 109.291 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -45.09 -34.05 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 73.349999999999994 110.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.37 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 64.329999999999998 109.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.926 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -53.95 -24.55 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -32.34 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.040000000000006 110.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -13.16 18.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 75.540000000000006 110.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -97.77 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.230000000000004 110.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -118.22 79.72 14.98 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 109.588 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.52 12.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.477 1.777 . . . . 74.040000000000006 110.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -83.2 8.34 13.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 72.209999999999994 110.39 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -126.94 158.64 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.25 109.251 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 99' ' ' TYR . 10.1 mm -107.04 120.61 47.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 63.340000000000003 109.322 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.05 127.28 10.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 60.009999999999998 110.956 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -132.43 156.12 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 41.310000000000002 109.312 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.3 mm -129.71 97.13 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 63.119999999999997 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.3 mt -91.76 132.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' HG2' HG23 ' A' ' 50' ' ' THR . 10.7 mm-40 -140.53 140.18 35.18 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.571 1.169 . . . . 73.349999999999994 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.96 140.9 35.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 110.237 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -60.88 140.66 57.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 54.109999999999999 110.986 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.8 ptmt -57.86 95.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 73.549999999999997 109.234 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.03 18.18 7.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 74.450000000000003 111.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -86.14 116.03 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.797 . . . . 62.140000000000001 110.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 1.4 pptp? -119.25 -40.35 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 64.400000000000006 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.41 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 34.8 mt-30 -45.32 -84.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 65.430000000000007 110.286 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 115' ' ' SER . 6.6 mt -55.37 151.03 20.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.34 31.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 72.019999999999996 111.036 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.1 t -77.99 119.38 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 71.25 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.736 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.81 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 70.209999999999994 109.234 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.581 ' H ' HD13 ' A' ' 47' ' ' LEU . 71.7 m-20 -71.85 -38.18 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 65.120000000000005 109.316 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' CE ' ' HB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -130.12 -177.16 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 64.030000000000001 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.512 HG23 ' HG2' ' A' ' 36' ' ' GLU . 29.1 m -112.97 -33.9 5.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.073 . . . . 64.230000000000004 110.425 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.593 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.3 OUTLIER -113.77 147.27 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 74.5 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 51' ' ' LYS . 3.3 m-85 -140.22 146.42 38.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 64.540000000000006 110.967 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.926 HD21 HG12 ' A' ' 23' ' ' ILE . 25.3 mt -100.93 103.14 14.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 70.040000000000006 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.719 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.5 p -92.52 142.53 25.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 54.109999999999999 109.288 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.96 123.7 8.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.52 1.8 . . . . 72.209999999999994 111.025 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -77.62 56.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 73.209999999999994 109.273 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.497 ' ND1' HG13 ' A' ' 58' ' ' VAL . 7.5 p80 -159.23 29.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.420000000000002 109.638 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG13 ' ND1' ' A' ' 57' ' ' HIS . 25.9 m -145.9 -164.82 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 63.399999999999999 109.341 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.46 154.73 26.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 54.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.612 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -52.75 -25.15 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 72.030000000000001 111.029 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.645 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -51.5 69.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 60.520000000000003 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' OE2' HG11 ' B' ' 346' ' ' VAL . 40.0 mm-40 -42.27 -57.36 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 65.319999999999993 110.363 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.618 HD12 HG12 ' A' ' 67' ' ' ILE . 3.5 tp -40.16 -47.56 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 75.349999999999994 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 64' ' ' ILE . 6.5 mm -51.13 -62.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 62.299999999999997 109.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 9.3 mtmm -52.97 -32.36 45.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 65.209999999999994 109.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.648 ' CG2' HD22 ' B' ' 341' ' ' LEU . 4.5 mt -73.24 -27.26 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 63.229999999999997 109.29 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.618 HG12 HD12 ' A' ' 63' ' ' LEU . 17.1 mm -80.69 -69.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.109999999999999 109.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.54 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -45.15 -25.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 75.109999999999999 110.372 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -73.11 -40.48 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 73.230000000000004 110.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.61 -45.32 75.8 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.459 1.099 . . . . 71.150000000000006 110.357 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.736 HD21 HD22 ' A' ' 47' ' ' LEU . 4.6 mt -68.8 -8.58 44.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 72.230000000000004 109.227 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.0 pt20 39.07 56.01 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 73.519999999999996 110.283 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.783 HD22 ' HG2' ' A' ' 77' ' ' GLN . 6.7 mt -88.43 -179.4 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 60.030000000000001 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -117.02 -174.99 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 74.200000000000003 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.61 58.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 44.43 109.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -81.34 -16.99 50.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.199 . . . . 74.340000000000003 109.329 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.783 ' HG2' HD22 ' A' ' 73' ' ' LEU . 35.0 tp60 -98.86 117.39 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 75.299999999999997 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.32 130.0 34.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.299999999999997 109.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -134.06 135.5 43.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 75.540000000000006 111.013 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.529 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 20.0 m-85 -143.3 123.82 14.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 53.43 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -90.0 110.09 21.09 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.468 1.105 . . . . 70.099999999999994 109.309 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.531 HD13 ' CA ' ' A' ' 87' ' ' SER . 2.3 mm? -83.89 112.93 20.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.231 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 111' ' ' MET . 24.9 t -83.11 109.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.296 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.7 m-20 67.4 15.76 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.061 . . . . 73.329999999999998 109.354 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.67 7.25 55.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 61.149999999999999 111.023 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 22.9 p80 -128.03 127.7 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 74.019999999999996 109.566 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.531 ' CA ' HD13 ' A' ' 82' ' ' LEU . 1.7 p -57.71 172.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 72.540000000000006 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.456 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -120.92 42.17 3.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 73.310000000000002 111.022 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.738 HG12 ' OE2' ' A' ' 117' ' ' GLU . 3.2 m -39.5 -30.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 72.209999999999994 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 t -121.09 106.16 11.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 43.149999999999999 110.011 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.645 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -107.78 93.91 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 73.430000000000007 109.295 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.08 14.72 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 74.420000000000002 110.008 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.484 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 87.7 m -127.26 143.46 47.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 72.010000000000005 110.398 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.02 140.13 25.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 74.200000000000003 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.551 HD13 HG21 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -48.99 -29.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 74.510000000000005 109.379 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 t -59.96 -40.54 89.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 110.007 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLU . 81.1 mt-10 -84.27 -53.12 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 74.430000000000007 110.23 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 7.2 t -42.65 -34.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 73.030000000000001 109.339 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -78.47 -41.1 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 73.420000000000002 111.024 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.3 pt-20 -77.3 -4.18 43.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 110.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.39 5.33 14.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.149999999999999 110.0 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 4.2 mm-40 -134.61 -53.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 75.099999999999994 110.338 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -36.4 153.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 73.510000000000005 110.289 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -114.55 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 52.109999999999999 109.318 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 88.1 mt-10 -42.49 -53.58 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 74.25 110.26 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.911 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -40.3 -52.04 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 72.310000000000002 109.27 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.921 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 100.63 31.28 5.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 33.439999999999998 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -130.73 133.65 46.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 73.310000000000002 110.959 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.19 136.33 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.631 ' CE1' ' NH1' ' A' ' 16' ' ' ARG . 90.6 m-85 -122.78 107.61 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 110.928 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 83' ' ' VAL . 2.9 mtt -132.36 147.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 64.010000000000005 110.941 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.7 t -116.31 145.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 73.329999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.558 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.6 p90 -120.49 157.9 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.557 ' C ' HD12 ' A' ' 44' ' ' LEU . . . -177.8 177.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 24.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.605 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -92.65 29.82 1.68 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 63.340000000000003 110.029 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -149.74 131.13 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 70.450000000000003 110.37 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.738 ' OE2' HG12 ' A' ' 89' ' ' VAL . 3.4 tt0 -114.44 -9.9 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 54.409999999999997 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 61.450000000000003 110.427 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.247 -0.649 . . . . 74.409999999999997 109.247 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.871 ' CE2' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -61.81 -154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 73.140000000000001 107.977 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.427 ' HB ' ' CE ' ' A' ' 49' ' ' LYS . 3.2 t -95.1 145.34 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.25 110.349 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 123.74 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.310000000000002 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.648 HD22 ' CG2' ' A' ' 66' ' ' ILE . 9.7 mt -90.77 121.84 32.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 73.230000000000004 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.55 128.32 55.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 62.219999999999999 109.983 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.5 12.84 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 53.030000000000001 109.995 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -26.61 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 71.409999999999997 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.27 -0.51 41.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 61.520000000000003 110.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.484 HG12 HG12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -79.72 159.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 73.120000000000005 109.267 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 64.450000000000003 109.377 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.485 0.183 . . . . 71.109999999999999 111.045 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -44.98 -39.89 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 72.439999999999998 110.314 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.18 -58.24 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 75.040000000000006 110.286 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 20' ' ' VAL . 7.9 mmp_? -48.66 -38.04 20.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 106' ' ' ASP . 97.5 t -75.06 -38.37 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 72.239999999999995 109.343 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -58.34 -48.26 81.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.549999999999997 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD2' ' CD ' ' A' ' 51' ' ' LYS . 9.7 t70 -60.41 -40.03 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 51.310000000000002 109.328 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.529 HG23 ' CD2' ' A' ' 108' ' ' PHE . 14.2 t -56.75 -32.45 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 71.230000000000004 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -61.39 -50.16 74.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 73.349999999999994 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -55.33 -56.51 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.597 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -60.37 -30.34 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 73.030000000000001 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.7 mmm180 -69.1 -33.06 72.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.040000000000006 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.44 -4.94 27.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.540000000000006 110.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' LEU . 31.0 mt-30 -106.47 -62.32 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 74.230000000000004 110.32 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CG ' HD13 ' A' ' 53' ' ' LEU . 26.8 m-70 -117.82 80.12 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 109.558 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.98 -29.05 8.67 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 74.040000000000006 110.993 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -89.85 26.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 72.209999999999994 110.415 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -133.05 147.37 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.25 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.513 HG23 ' CD1' ' A' ' 99' ' ' TYR . 38.9 mm -94.94 113.73 61.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 63.340000000000003 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.574 ' HD2' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 60.009999999999998 110.993 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.62 151.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 41.310000000000002 109.322 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.2 mm -124.01 95.57 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 63.119999999999997 109.284 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.503 HD12 ' CD2' ' A' ' 52' ' ' PHE . 9.0 mt -96.2 121.95 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 64.400000000000006 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.875 ' OE1' HG22 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -124.11 179.95 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.349999999999994 110.33 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -83.06 140.62 32.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 73.239999999999995 110.282 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.522 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 22.9 t80 -63.75 154.07 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 54.109999999999999 110.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 23.1 mtmm -75.87 95.02 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 73.549999999999997 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.51 21.02 6.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 74.450000000000003 110.979 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 5.3 tm-20 -116.76 103.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 62.140000000000001 110.33 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 -18.87 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 64.400000000000006 109.347 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -49.33 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 65.430000000000007 110.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.6 mt -54.67 151.96 13.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.366 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 165.54 31.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.536 1.809 . . . . 72.019999999999996 110.983 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.8 t -76.56 117.18 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 71.25 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.757 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.26 145.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 70.209999999999994 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.623 ' H ' HD13 ' A' ' 47' ' ' LEU . 6.0 t0 -49.61 -46.63 49.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 65.120000000000005 109.31 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -138.17 -173.74 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 64.030000000000001 109.299 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 m -115.8 -34.1 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 64.230000000000004 110.342 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 17.1 mtmm -93.94 127.09 39.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 74.5 109.337 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CD2' HD12 ' A' ' 35' ' ' ILE . 86.6 m-85 -132.38 134.02 44.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 64.540000000000006 110.966 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' A' ' 27' ' ' HIS . 17.9 mt -99.22 104.14 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 70.040000000000006 109.362 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -85.1 141.44 37.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 54.109999999999999 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.11 121.98 6.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 72.209999999999994 111.034 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -76.91 57.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 73.209999999999994 109.299 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' ND1' HG13 ' A' ' 58' ' ' VAL . 13.8 p80 -161.19 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 74.420000000000002 109.573 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.495 HG13 ' ND1' ' A' ' 57' ' ' HIS . 13.5 m -148.69 -160.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 63.399999999999999 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -118.7 159.69 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 54.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.655 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.5 ppp? -55.74 -23.23 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 110.961 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.641 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -59.16 -55.35 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 60.520000000000003 109.983 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 23.1 mt-10 -43.09 -52.4 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 65.319999999999993 110.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.808 HD12 HD11 ' A' ' 95' ' ' ILE . 0.8 OUTLIER -41.8 -44.31 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 75.349999999999994 109.356 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 64' ' ' ILE . 7.0 mm -54.7 -52.09 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 62.299999999999997 109.249 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -60.07 -33.58 72.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 65.209999999999994 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.821 HD13 ' CG1' ' B' ' 346' ' ' VAL . 2.8 mm -67.42 -38.09 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 63.229999999999997 109.373 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 63' ' ' LEU . 13.8 mm -70.37 -68.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 9.3 ptm180 -38.94 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 75.109999999999999 110.331 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmp_? -67.92 -51.24 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 110.265 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -62.31 -23.28 66.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 71.150000000000006 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD21 HD22 ' A' ' 47' ' ' LEU . 28.4 mt -92.37 -3.75 54.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 72.230000000000004 109.299 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.536 ' C ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER 27.51 47.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 73.519999999999996 110.308 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.866 HD22 ' HG2' ' A' ' 77' ' ' GLN . 2.0 mt -79.58 -173.67 3.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 60.030000000000001 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -130.34 177.05 7.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 74.200000000000003 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.6 -19.56 65.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 44.43 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -76.88 -33.66 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 74.340000000000003 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.866 ' HG2' HD22 ' A' ' 73' ' ' LEU . 50.2 tp60 -93.69 112.58 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.299999999999997 110.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.74 137.12 36.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 75.299999999999997 109.259 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -138.14 134.74 34.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 75.540000000000006 110.992 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 20.3 m-85 -143.31 132.02 22.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 53.43 111.041 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.45 109.61 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 70.099999999999994 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 82' ' ' LEU . 2.7 mm? -84.84 104.98 15.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.655 HG21 ' CE ' ' A' ' 60' ' ' MET . 29.6 t -77.09 111.1 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.8 OUTLIER 65.55 10.88 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 73.329999999999998 109.301 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.51 11.19 36.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 61.149999999999999 111.071 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.9 p80 -130.39 135.96 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 74.019999999999996 109.572 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 171.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.540000000000006 109.988 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.488 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -131.73 31.97 4.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 73.310000000000002 110.995 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.33 -16.22 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 72.209999999999994 109.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' SER . 1.5 m -104.99 22.62 14.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 43.149999999999999 109.928 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -39.98 97.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 109.342 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.7 m -131.6 11.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.972 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.576 HG23 ' HD2' ' A' ' 94' ' ' PRO . 30.2 m -129.35 144.51 53.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 72.010000000000005 110.456 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 139.07 24.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 74.200000000000003 111.022 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.808 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -46.66 -28.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 74.510000000000005 109.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.4 p -62.37 -43.67 98.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 73.109999999999999 110.0 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 35.8 mt-10 -79.58 -55.34 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.561 HG23 HG22 ' A' ' 93' ' ' THR . 22.4 t -43.0 -29.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.030000000000001 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HA ' HD21 ' A' ' 109' ' ' LEU . 37.6 t80 -72.84 -48.75 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 73.420000000000002 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 3.0 pt-20 -81.28 -3.67 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 74.239999999999995 110.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -110.97 1.83 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 63.149999999999999 109.96 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 66.0 mm-40 -132.94 -49.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 75.099999999999994 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.91 156.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 73.510000000000005 110.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.34 -175.2 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 52.109999999999999 109.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -48.32 -27.56 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 74.25 110.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.717 ' HA ' HG22 ' A' ' 17' ' ' VAL . 1.5 p30 -67.09 -45.87 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 72.310000000000002 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . 101.04 6.8 51.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 33.439999999999998 111.013 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.776 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -107.62 133.05 52.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.806 . . . . 73.310000000000002 111.026 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.59 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.17 144.97 35.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 71.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.1 m-85 -131.21 122.43 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 110.993 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.461 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.7 mtt -145.05 145.73 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 64.010000000000005 111.019 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.875 HG22 ' OE1' ' A' ' 36' ' ' GLU . 7.1 t -113.38 141.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.266 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.4 p90 -119.5 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.456 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.51 178.58 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 24.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.488 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.6 t -89.94 23.64 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 63.340000000000003 110.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.9 tp60 -150.02 142.66 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 70.450000000000003 110.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 3.8 tt0 -122.0 -3.19 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 54.409999999999997 110.32 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 67.4 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 61.450000000000003 110.363 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.309 -0.626 . . . . 74.409999999999997 109.309 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.776 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 2.3 m0 -88.15 -152.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.546 1.154 . . . . 73.140000000000001 107.978 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 4.9 m -89.8 156.52 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 75.25 110.442 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 112.04 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 75.310000000000002 109.633 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.564 HD13 ' CG2' ' A' ' 66' ' ' ILE . 3.7 mt -92.53 109.56 20.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 73.230000000000004 109.246 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 9.2 m -117.42 146.43 43.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 62.219999999999999 109.976 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.5 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -89.03 6.26 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 53.030000000000001 110.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.417 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -102.49 -20.46 14.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 71.409999999999997 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -94.84 -0.56 53.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 61.520000000000003 110.269 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.821 ' CG1' HD13 ' A' ' 66' ' ' ILE . 9.8 m -76.88 -172.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 73.120000000000005 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . 0.411 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 5.6 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 64.450000000000003 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.5 t80 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.452 0.168 . . . . 71.109999999999999 110.996 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -19.26 63.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 72.439999999999998 110.251 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -90.32 -40.64 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 75.040000000000006 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.646 ' NH2' ' CE1' ' A' ' 110' ' ' TYR . 28.3 mmm-85 -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 73.109999999999999 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.889 HG22 ' HA ' ' A' ' 106' ' ' ASP . 49.3 t -73.91 -48.1 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 72.239999999999995 109.357 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 39.4 tt0 -62.84 -51.64 66.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 74.549999999999997 110.251 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -44.54 -36.44 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 51.310000000000002 109.287 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.674 HG23 ' CE2' ' A' ' 108' ' ' PHE . 2.7 t -69.87 -44.3 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 71.230000000000004 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 41.8 ttt180 -38.88 -42.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 73.349999999999994 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -58.69 -67.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 64.329999999999998 109.208 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.722 HD11 HD11 ' A' ' 53' ' ' LEU . 1.1 tp -50.49 -24.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 73.030000000000001 109.315 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -34.93 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 74.040000000000006 110.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.8 -4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 110.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' LEU . 50.9 mt-30 -110.63 -57.22 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 74.230000000000004 110.337 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 9.8 m-70 -117.13 80.98 12.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.622 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.88 5.92 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.477 1.777 . . . . 74.040000000000006 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 p -90.27 28.86 1.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 72.209999999999994 110.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 31.3 mmtt -135.11 144.76 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 74.25 109.226 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 10.4 mm -100.83 116.15 64.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.545 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 17.9 Cg_endo -75.05 139.48 24.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 60.009999999999998 110.938 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.86 160.73 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 41.310000000000002 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.552 HG12 ' CD1' ' A' ' 108' ' ' PHE . 6.5 mm -134.9 96.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 63.119999999999997 109.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.807 HD13 HD11 ' A' ' 67' ' ' ILE . 6.7 mt -95.42 131.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 64.400000000000006 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 3.9 mp0 -132.48 167.63 19.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 110.263 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 -75.62 133.47 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.239999999999995 110.251 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.89 140.88 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 54.109999999999999 111.023 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.588 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.1 ptmt -56.62 97.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 73.549999999999997 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.37 15.63 9.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 74.450000000000003 111.028 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -93.72 108.96 20.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 62.140000000000001 110.292 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.97 -39.75 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 64.400000000000006 109.319 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.406 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 30.6 mm-40 -44.71 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 65.430000000000007 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -54.97 148.2 29.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 168.43 24.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 72.019999999999996 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 t -83.59 121.8 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 71.25 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.648 HD22 ' CG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -45.65 150.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 70.209999999999994 109.296 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.422 ' H ' HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -57.11 -33.92 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 65.120000000000005 109.251 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 -176.07 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 64.030000000000001 109.328 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 35' ' ' ILE . 2.8 m -111.34 -40.24 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 64.230000000000004 110.381 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.517 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 12.0 mtmm -71.81 127.01 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 74.5 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CD2' HD12 ' A' ' 35' ' ' ILE . 68.8 m-85 -138.96 128.36 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 64.540000000000006 111.02 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.722 HD11 HD11 ' A' ' 23' ' ' ILE . 1.7 mt -94.85 104.19 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.539 1.149 . . . . 70.040000000000006 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.857 HG11 HD13 ' A' ' 95' ' ' ILE . 2.4 t -93.22 141.64 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 54.109999999999999 109.328 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.566 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.96 137.62 22.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 72.209999999999994 111.014 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.6 p-10 -88.79 43.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 73.209999999999994 109.234 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.936 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.99 17.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.394 1.059 . . . . 74.420000000000002 109.554 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.936 HG13 ' ND1' ' A' ' 57' ' ' HIS . 19.8 m -136.34 -163.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 63.399999999999999 109.288 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.462 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -113.56 166.11 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 54.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.0 ppp? -58.63 -31.18 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 72.030000000000001 111.033 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.884 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.1 t -54.25 -50.69 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 60.520000000000003 109.971 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.5 mm-40 -42.01 -53.87 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 65.319999999999993 110.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.766 HD12 HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -39.41 -52.79 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 75.349999999999994 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 61' ' ' SER . 3.2 mt -57.96 -56.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 62.299999999999997 109.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 39.7 mtpt -45.35 -26.44 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 65.209999999999994 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.987 HG21 HD13 ' B' ' 341' ' ' LEU . 2.8 mm -84.34 -49.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 63.229999999999997 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 35' ' ' ILE . 19.8 mm -45.9 -68.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 74.109999999999999 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -45.55 -45.71 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 75.109999999999999 110.267 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.591 HH21 ' HB3' ' B' ' 347' ' ' ASP . 3.9 mpt_? -55.45 -35.17 65.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 73.230000000000004 110.313 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -48.49 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 71.150000000000006 110.222 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.648 ' CG ' HD22 ' A' ' 47' ' ' LEU . 81.8 mt -69.33 -8.61 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.230000000000004 109.267 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.2 pt20 45.74 49.73 11.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 110.307 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.53 167.86 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 60.030000000000001 109.344 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -78.2 175.03 10.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 74.200000000000003 109.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.06 -1.17 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 44.43 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -111.7 -32.57 6.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 74.340000000000003 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.512 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -45.67 145.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.299999999999997 110.271 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -114.03 133.88 55.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 75.299999999999997 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.761 ' CZ ' HG21 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -150.71 145.02 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.540000000000006 110.973 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 77.0 m-85 -143.85 123.05 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 53.43 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 111' ' ' MET . 0.2 OUTLIER -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 70.099999999999994 109.297 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -91.66 117.07 29.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.120000000000005 109.309 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.878 HG22 ' SD ' ' A' ' 111' ' ' MET . 3.7 t -84.67 105.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 75.329999999999998 109.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.76 15.31 3.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 73.329999999999998 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.17 1.79 58.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.571 1.17 . . . . 61.149999999999999 110.964 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.507 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.2 p80 -122.61 137.11 55.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.778 . . . . 74.019999999999996 109.654 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -57.39 172.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 72.540000000000006 109.992 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.409 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -113.36 29.28 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 111.008 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.515 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.4 p -50.79 128.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 72.209999999999994 109.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 2.0 m 86.36 18.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 43.149999999999999 109.994 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -37.95 102.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.430000000000007 109.267 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -138.26 22.2 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 74.420000000000002 110.018 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 94' ' ' PRO . 8.4 m -128.8 145.32 55.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 72.010000000000005 110.408 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.0 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 74.200000000000003 111.03 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.857 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.62 -22.77 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.313 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.476 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 15.6 p -67.39 -39.44 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 73.109999999999999 109.934 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' SER . 44.8 mt-10 -85.64 -53.4 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 74.430000000000007 110.233 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.642 HG23 HG22 ' A' ' 93' ' ' THR . 3.2 t -42.86 -32.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 73.030000000000001 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 5.5 t80 -78.73 -50.33 11.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.420000000000002 110.965 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.66 -4.73 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 m -109.56 -5.93 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 63.149999999999999 109.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.535 ' HB2' HD21 ' A' ' 109' ' ' LEU . 33.9 mm-40 -127.44 -59.25 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 75.099999999999994 110.279 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 1.7 ppt_? -38.47 155.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 73.510000000000005 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.14 -177.22 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 52.109999999999999 109.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -50.19 -23.18 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.25 110.254 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.889 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -59.65 -47.23 86.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 72.310000000000002 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 99.46 13.07 39.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 33.439999999999998 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.2 OUTLIER -120.31 128.67 53.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 73.310000000000002 111.012 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.0 mt -80.7 143.35 33.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 71.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.646 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 97.1 m-85 -121.27 107.7 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 75.439999999999998 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.878 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.5 mtt -128.69 138.91 52.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 64.010000000000005 111.04 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -114.86 121.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 2.5 p90 -105.26 154.96 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 73.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -176.82 178.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 24.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 t -87.73 34.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 63.340000000000003 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.46 ' OE1' ' CZ ' ' A' ' 38' ' ' TYR . 2.9 pt20 -150.36 124.95 9.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 70.450000000000003 110.338 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.521 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 9.8 tt0 -107.86 -7.05 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 54.409999999999997 110.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 61.450000000000003 110.359 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.292 -0.633 . . . . 74.409999999999997 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.746 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 7.1 m0 -71.79 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.01 -1.108 . . . . 73.140000000000001 108.01 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 1.3 m -91.27 155.31 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 75.25 110.389 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . 0.416 ' C ' HD22 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -102.28 126.95 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 75.310000000000002 109.636 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.987 HD13 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -97.8 84.24 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 73.230000000000004 109.308 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.455 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.8 OUTLIER -89.6 123.49 33.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 62.219999999999999 109.945 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.464 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.0 OUTLIER -86.26 12.6 9.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 53.030000000000001 110.0 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.455 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -98.19 -32.09 11.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 71.409999999999997 109.313 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.84 -0.72 44.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 61.520000000000003 110.269 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.51 ' CG1' HD13 ' A' ' 66' ' ' ILE . 2.7 m -86.51 -165.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 73.120000000000005 109.386 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . 0.591 ' HB3' HH21 ' A' ' 69' ' ' ARG . 2.9 t0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 64.450000000000003 109.296 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.779 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.9 t80 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.522 0.201 . . . . 71.109999999999999 111.04 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.498 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 25.9 mt-10 -69.41 -12.87 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 72.439999999999998 110.273 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -84.86 -50.16 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 75.040000000000006 110.301 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -48.64 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.347 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 106' ' ' ASP . 8.4 p -60.49 -23.6 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 72.239999999999995 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -85.74 -17.79 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 74.549999999999997 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.72 -45.52 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 51.310000000000002 109.285 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.883 HG11 ' O ' ' A' ' 107' ' ' GLY . 35.3 m -58.46 -50.21 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 71.230000000000004 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 20' ' ' VAL . 33.1 ttt180 -35.4 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 73.349999999999994 110.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' VAL . 1.8 mt -64.73 -58.09 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 64.329999999999998 109.272 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.797 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -61.77 -22.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 109.33 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -70.25 -28.0 64.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.27 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.97 -25.79 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.367 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.58 -54.81 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 110.3 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 19.0 m-70 -117.22 79.84 11.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.540000000000006 109.616 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.72 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 74.040000000000006 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 p -88.76 30.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 110.338 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -137.95 156.3 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 74.25 109.225 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' A' ' 99' ' ' TYR . 9.6 mm -109.42 117.79 52.18 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 63.340000000000003 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.6 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -74.98 135.26 18.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 60.009999999999998 110.977 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.409 ' HB ' ' HE3' ' A' ' 111' ' ' MET . 2.1 m -143.63 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 41.310000000000002 109.257 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.668 HG23 HG22 ' A' ' 50' ' ' THR . 3.1 mm -124.75 95.75 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 63.119999999999997 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.43 HD13 HD11 ' A' ' 67' ' ' ILE . 21.8 mt -95.45 121.51 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 64.400000000000006 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 113' ' ' TYR . 1.5 mp0 -129.28 179.07 5.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 73.349999999999994 110.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -87.22 139.36 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 73.239999999999995 110.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.14 143.1 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 54.109999999999999 111.016 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 14.3 ptmt -55.65 91.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 73.549999999999997 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' TYR . . . 112.7 21.58 6.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 74.450000000000003 110.99 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -87.15 108.59 18.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 62.140000000000001 110.275 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -112.41 -31.11 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 64.400000000000006 109.256 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -53.58 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 65.430000000000007 110.389 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 71' ' ' LEU . 2.0 mm? -56.21 145.31 57.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 74.319999999999993 109.302 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.65 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.99 175.48 11.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 72.019999999999996 110.949 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -76.19 109.55 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 71.25 109.251 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD22 HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -40.46 146.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 70.209999999999994 109.276 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.57 ' H ' HD13 ' A' ' 47' ' ' LEU . 4.0 m-20 -42.29 -35.27 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 65.120000000000005 109.229 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HD3' HH21 ' A' ' 70' ' ' ARG . 0.0 OUTLIER -165.52 -166.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 64.030000000000001 109.33 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.668 HG22 HG23 ' A' ' 34' ' ' ILE . 4.2 m -113.15 -22.09 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.230000000000004 110.407 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 5.1 mtmm -95.77 128.86 43.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 74.5 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.618 ' HA ' HG22 ' B' ' 339' ' ' THR . 84.3 m-85 -140.37 133.58 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 64.540000000000006 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.556 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 5.9 mt -98.01 103.29 15.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 70.040000000000006 109.326 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.728 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -90.07 142.39 28.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 54.109999999999999 109.26 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.61 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 127.75 10.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 72.209999999999994 110.93 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.489 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -78.12 1.88 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 73.209999999999994 109.386 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' CD2' HG12 ' A' ' 58' ' ' VAL . 8.9 p-80 -95.57 -11.64 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 109.586 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 57' ' ' HIS . 1.6 m -112.83 -173.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 63.399999999999999 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -109.19 172.48 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 54.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.683 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -61.45 -25.72 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.030000000000001 111.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.664 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -57.19 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 60.520000000000003 110.04 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 4.8 mt-10 -42.06 -52.39 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 65.319999999999993 110.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.601 HD12 HG12 ' A' ' 67' ' ' ILE . 3.0 tp -42.81 -42.65 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 75.349999999999994 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.07 -58.42 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 62.299999999999997 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 45.6 mttt -54.81 -36.42 64.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 65.209999999999994 109.36 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.576 HG12 HG12 ' B' ' 346' ' ' VAL . 12.7 mt -69.5 -32.38 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 63.229999999999997 109.252 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.3 mm -73.36 -67.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 74.109999999999999 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.692 HH21 ' HB3' ' B' ' 347' ' ' ASP . 25.6 ptt180 -41.78 -42.07 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 75.109999999999999 110.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -42.62 98.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 73.230000000000004 110.268 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.559 HH21 ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -61.79 -41.15 97.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 71.150000000000006 110.28 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.691 HD21 HD22 ' A' ' 47' ' ' LEU . 40.1 mt -73.53 -13.91 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 72.230000000000004 109.31 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 40.39 49.49 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 73.519999999999996 110.288 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.888 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.2 mt -84.25 -176.25 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 60.030000000000001 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -117.0 -174.87 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 74.200000000000003 109.304 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.96 60.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 44.43 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -74.84 -28.32 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 109.333 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.888 ' HG2' HD22 ' A' ' 73' ' ' LEU . 29.5 tp60 -92.6 118.98 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.299999999999997 110.251 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.53 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -88.81 137.8 31.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 75.299999999999997 109.291 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -135.71 133.31 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.540000000000006 111.033 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.538 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.8 m-85 -143.35 125.12 15.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 53.43 110.998 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -91.58 115.1 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 70.099999999999994 109.273 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 116' ' ' GLN . 3.1 mm? -90.29 106.99 18.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.344 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.676 HG21 ' CE ' ' A' ' 60' ' ' MET . 3.1 t -77.7 111.32 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 75.329999999999998 109.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.412 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 1.8 m-20 67.2 9.76 7.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.256 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 10.45 37.36 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.472 1.108 . . . . 61.149999999999999 111.001 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.642 ' CE1' HG12 ' A' ' 83' ' ' VAL . 23.6 p80 -130.62 139.64 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.591 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.0 OUTLIER -58.05 172.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 72.540000000000006 110.032 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.483 ' O ' HG12 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -130.83 30.41 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 110.991 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.458 ' CG2' ' OE1' ' A' ' 117' ' ' GLU . 89.7 t -56.15 -18.5 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 72.209999999999994 109.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' SER . 32.5 t -104.72 27.12 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 43.149999999999999 110.041 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.683 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -45.61 94.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.3 OUTLIER -129.37 9.1 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.420000000000002 110.003 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.73 HG22 HG23 ' A' ' 98' ' ' VAL . 15.8 m -124.8 145.23 49.13 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 72.010000000000005 110.44 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 140.91 26.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.759 . . . . 74.200000000000003 111.046 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.728 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -49.89 -22.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.510000000000005 109.364 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' OD1' ' A' ' 56' ' ' ASP . 61.8 p -68.82 -39.96 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 73.109999999999999 109.976 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 101' ' ' SER . 20.6 mm-40 -86.4 -53.46 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 74.430000000000007 110.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 93' ' ' THR . 3.3 t -41.9 -29.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 73.030000000000001 109.256 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HB2' HG21 ' A' ' 31' ' ' ILE . 30.3 t80 -76.58 -57.66 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.420000000000002 110.975 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.437 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -70.71 -4.36 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 110.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -108.73 -5.0 16.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 63.149999999999999 109.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.594 ' HB2' HD21 ' A' ' 109' ' ' LEU . 7.3 mm-40 -130.25 -58.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 75.099999999999994 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.62 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 73.510000000000005 110.305 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.448 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -92.82 169.39 10.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 52.109999999999999 109.282 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -44.2 -41.33 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.427 1.079 . . . . 74.25 110.246 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.954 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.7 p-10 -40.65 -44.67 2.2 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 72.310000000000002 109.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.883 ' O ' HG11 ' A' ' 20' ' ' VAL . . . 100.67 44.1 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 33.439999999999998 110.943 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -149.81 131.87 15.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.782 . . . . 73.310000000000002 110.997 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.601 HD13 ' HE3' ' A' ' 111' ' ' MET . 2.3 mt -79.49 148.71 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 71.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -135.05 106.8 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 110.991 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.601 ' HE3' HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -128.39 144.01 51.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 64.010000000000005 110.977 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -109.59 135.62 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 73.329999999999998 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.6 p90 -113.98 142.49 46.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 73.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -161.51 178.44 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 24.0 109.247 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.451 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -90.48 30.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 63.340000000000003 110.023 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.523 ' O ' HD21 ' A' ' 82' ' ' LEU . 4.8 mt-30 -149.24 137.71 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 70.450000000000003 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 2.4 tt0 -119.39 -7.02 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 54.409999999999997 110.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.3 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 61.450000000000003 110.403 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . 0.423 ' N ' ' OD2' ' B' ' 337' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.288 -0.634 . . . . 74.409999999999997 109.288 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.797 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -96.63 -154.39 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 108.024 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -91.01 155.17 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.25 110.418 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . 0.45 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -104.25 126.56 51.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 75.310000000000002 109.57 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.556 ' HB3' HG21 ' A' ' 66' ' ' ILE . 4.7 mt -107.43 106.0 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.230000000000004 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 25.7 m -109.32 164.06 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 62.219999999999999 109.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.794 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.9 p -90.98 -8.52 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 53.030000000000001 110.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.473 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.9 -22.66 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.409999999999997 109.249 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -85.75 -6.42 59.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 61.520000000000003 110.286 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.794 HG22 ' O ' ' B' ' 343' ' ' SER . 17.2 m -63.5 -175.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 73.120000000000005 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . 0.692 ' HB3' HH21 ' A' ' 68' ' ' ARG . 7.7 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 64.450000000000003 109.331 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.019 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.515 0.198 . . . . 71.109999999999999 111.053 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 17' ' ' VAL . 1.5 pt-20 -52.14 -21.07 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 72.439999999999998 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -85.28 -28.88 25.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 75.040000000000006 110.312 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.725 ' NH2' HG21 ' A' ' 34' ' ' ILE . 7.4 ttt180 -89.28 -21.61 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 73.109999999999999 110.341 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.019 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.1 m -75.63 -37.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 72.239999999999995 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -52.91 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 74.549999999999997 110.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.81 -53.12 6.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 51.310000000000002 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.833 HG23 ' CE2' ' A' ' 108' ' ' PHE . 2.3 t -47.34 -45.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 71.230000000000004 109.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -44.36 -38.24 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 73.349999999999994 110.334 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.0 mt -71.4 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.775 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -48.99 -25.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 73.030000000000001 109.252 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.427 HH21 ' HB3' ' A' ' 28' ' ' PRO . 7.6 mmm-85 -77.3 -35.93 54.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 74.040000000000006 110.262 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -89.83 -12.06 40.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 75.540000000000006 110.344 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 47.6 mt-30 -108.95 -20.59 12.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 35.3 m-70 -158.92 74.07 3.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.540000000000006 109.587 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HB3' HH21 ' A' ' 24' ' ' ARG . 18.5 Cg_endo -74.97 -28.47 9.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.566 1.824 . . . . 74.040000000000006 111.015 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -89.31 20.4 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.209999999999994 110.378 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 24.4 mmtt -127.57 148.28 50.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 74.25 109.37 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.634 HG23 ' CD2' ' A' ' 99' ' ' TYR . 17.8 mm -97.95 114.92 65.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 63.340000000000003 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.621 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 137.48 21.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 60.009999999999998 110.982 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.04 161.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 41.310000000000002 109.352 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.725 HG21 ' NH2' ' A' ' 16' ' ' ARG . 5.3 mm -135.11 95.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 63.119999999999997 109.329 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 50' ' ' THR . 14.8 mt -92.9 126.37 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -123.4 173.1 8.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 73.349999999999994 110.27 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -83.55 133.24 34.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.239999999999995 110.251 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -57.62 137.88 55.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 54.109999999999999 110.985 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 15.1 ptmt -60.04 96.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 73.549999999999997 109.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.07 19.61 8.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 8.6 tp10 -111.67 105.18 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 62.140000000000001 110.232 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -33.85 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 64.400000000000006 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -38.69 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 65.430000000000007 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD11 ' CA ' ' A' ' 115' ' ' SER . 5.8 mt -54.79 151.7 14.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.319999999999993 109.328 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 72.019999999999996 111.068 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.5 113.85 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 71.25 109.305 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.52 146.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 70.209999999999994 109.315 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.581 ' H ' HD13 ' A' ' 47' ' ' LEU . 9.1 t0 -47.94 -37.68 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HZ3' ' CG ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -154.54 -175.28 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 64.030000000000001 109.291 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 35' ' ' ILE . 11.8 m -114.09 -16.82 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 64.230000000000004 110.384 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 16.1 mtmm -102.73 131.26 49.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.5 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.68 ' HA ' HG22 ' B' ' 339' ' ' THR . 34.6 m-85 -140.5 143.3 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 64.540000000000006 110.976 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.532 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 9.9 mt -106.54 104.59 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 70.040000000000006 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.694 HG11 HD13 ' A' ' 95' ' ' ILE . 2.7 t -87.36 141.1 32.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 54.109999999999999 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.51 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 18.5 Cg_endo -75.0 128.85 11.81 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.415 1.745 . . . . 72.209999999999994 111.019 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -83.4 51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 73.209999999999994 109.321 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.4 p80 -155.95 25.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.655 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.25 -159.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 63.399999999999999 109.342 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -122.55 152.15 40.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 54.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.622 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -43.64 -25.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.030000000000001 110.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.662 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.64 -56.94 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 60.520000000000003 110.026 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' ' 62' ' ' GLU . 10.2 mm-40 -41.99 -49.23 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 65.319999999999993 110.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.467 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -44.11 -47.07 8.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 75.349999999999994 109.312 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 64' ' ' ILE . 4.9 mm -60.92 -50.29 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 62.299999999999997 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -49.67 -38.08 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 65.209999999999994 109.301 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.951 HG21 HD13 ' B' ' 341' ' ' LEU . 2.7 mm -71.36 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 63.229999999999997 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.743 HD11 HD13 ' A' ' 35' ' ' ILE . 20.6 mm -41.7 -68.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.109999999999999 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 11.3 ptm180 -43.99 -44.15 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 110.362 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HG3' HG12 ' B' ' 346' ' ' VAL . 0.8 OUTLIER -61.27 -35.86 78.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 73.230000000000004 110.235 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.2 mmp_? -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 71.150000000000006 110.277 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.46 -13.71 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.230000000000004 109.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 41.14 45.14 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 73.519999999999996 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.862 HD22 ' HG2' ' A' ' 77' ' ' GLN . 4.6 mt -77.0 -176.09 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 60.030000000000001 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.96 -174.94 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 74.200000000000003 109.26 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.92 58.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 44.43 109.316 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.13 -24.62 24.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.294 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.862 ' HG2' HD22 ' A' ' 73' ' ' LEU . 30.6 tp60 -87.74 120.6 29.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 75.299999999999997 110.404 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.538 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -88.41 139.41 30.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 75.299999999999997 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.697 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.1 t80 -139.94 134.63 31.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 75.540000000000006 111.02 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.5 m-85 -143.38 128.74 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 53.43 111.026 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -94.03 109.62 21.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 70.099999999999994 109.253 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.515 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.8 mm? -84.07 111.84 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 74.120000000000005 109.3 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.846 HG22 ' SD ' ' A' ' 111' ' ' MET . 18.3 t -81.42 111.66 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 75.329999999999998 109.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 0.7 OUTLIER 66.36 11.25 7.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.329999999999998 109.351 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.39 8.02 41.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 61.149999999999999 110.946 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.604 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.4 p80 -128.42 130.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 0.806 . . . . 74.019999999999996 109.581 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.471 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.62 172.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 72.540000000000006 110.001 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.448 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -121.97 39.59 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 73.310000000000002 110.99 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.616 HG22 ' OE2' ' A' ' 117' ' ' GLU . 20.9 t -39.53 -30.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 72.209999999999994 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' MET . 11.8 p -116.15 102.45 9.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 43.149999999999999 110.08 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.662 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -106.91 88.46 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 73.430000000000007 109.266 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -125.94 14.34 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 110.047 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.711 HG22 HG23 ' A' ' 98' ' ' VAL . 27.9 m -124.66 144.33 46.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 72.010000000000005 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.94 141.18 26.51 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 111.04 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.694 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -51.68 -22.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 74.510000000000005 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -69.26 -37.9 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 73.109999999999999 109.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' GLU . 29.8 mm-40 -86.54 -51.99 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 110.23 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.711 HG23 HG22 ' A' ' 93' ' ' THR . 23.7 t -44.88 -34.73 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.030000000000001 109.334 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.748 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -81.19 -34.07 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 pt-20 -79.04 -3.98 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -116.74 1.78 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 63.149999999999999 109.925 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 103' ' ' ARG . 5.7 mm-40 -130.24 -50.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 75.099999999999994 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.5 ppt_? -36.67 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 73.510000000000005 110.305 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.73 -175.68 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 52.109999999999999 109.267 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -39.53 -56.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 74.25 110.318 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.861 ' HB3' HG12 ' A' ' 17' ' ' VAL . 19.2 p-10 -47.14 -46.45 23.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 100.69 21.76 12.07 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.54 1.15 . . . . 33.439999999999998 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.833 ' CE2' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -111.0 131.03 55.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 0.827 . . . . 73.310000000000002 111.047 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.748 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.74 133.54 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 71.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 91.8 m-85 -114.86 107.26 15.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 75.439999999999998 111.041 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.846 ' SD ' HG22 ' A' ' 83' ' ' VAL . 2.7 mtt -134.64 146.29 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 64.010000000000005 110.981 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.8 t -115.06 142.82 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 73.329999999999998 109.318 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.534 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.5 p90 -115.97 152.78 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 73.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.95 178.05 9.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 24.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.542 ' CA ' HD11 ' A' ' 44' ' ' LEU . 27.5 t -92.13 20.23 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 63.340000000000003 109.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -150.23 150.2 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 70.450000000000003 110.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.616 ' OE2' HG22 ' A' ' 89' ' ' VAL . 2.6 tt0 -124.33 -1.66 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 54.409999999999997 110.321 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.4 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 61.450000000000003 110.322 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . 0.401 ' N ' ' OD2' ' B' ' 337' ' ' ASP . 13.3 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 74.409999999999997 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.775 ' NE1' HD13 ' A' ' 23' ' ' ILE . 19.3 m0 -68.24 -77.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.140000000000001 107.966 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -160.66 -177.22 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 75.25 110.402 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . 0.542 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -130.45 113.98 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 75.310000000000002 109.552 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.951 HD13 HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -86.56 85.99 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 73.230000000000004 109.342 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.447 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -91.41 124.19 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 62.219999999999999 110.018 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.848 ' O ' HG22 ' B' ' 346' ' ' VAL . 1.3 p -82.02 0.03 42.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 53.030000000000001 109.997 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.1 -35.47 20.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 71.409999999999997 109.246 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.69 -4.09 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 61.520000000000003 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.848 HG22 ' O ' ' B' ' 343' ' ' SER . 2.7 m -99.63 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 73.120000000000005 109.339 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 64.450000000000003 109.362 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.987 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.4 t80 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.452 0.168 . . . . 71.109999999999999 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.63 -34.41 26.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -75.01 -36.93 61.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 75.040000000000006 110.283 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -16.16 59.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 73.109999999999999 110.261 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 13' ' ' PHE . 46.0 t -79.37 -60.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 72.239999999999995 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.98 -31.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.549999999999997 110.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.486 ' OD1' ' CE ' ' A' ' 51' ' ' LYS . 4.4 t0 -57.41 -65.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 51.310000000000002 109.308 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.6 -46.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 71.230000000000004 109.282 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.45 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -44.64 -37.33 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 73.349999999999994 110.337 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.5 mt -63.56 -65.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 64.329999999999998 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.878 HG12 HD21 ' A' ' 53' ' ' LEU . 1.3 mp -57.64 -17.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 73.030000000000001 109.294 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -78.4 -33.76 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 74.040000000000006 110.289 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.98 -9.76 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 75.540000000000006 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' LEU . 34.6 mt-30 -107.45 -46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.230000000000004 110.238 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ILE . 28.7 m-70 -124.85 74.23 64.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.540000000000006 109.601 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.11 11.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 74.040000000000006 111.02 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -87.99 17.17 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.209999999999994 110.354 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -131.16 163.79 26.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 74.25 109.299 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.625 HG23 ' CG ' ' A' ' 99' ' ' TYR . 22.7 mm -111.17 116.91 50.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 63.340000000000003 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.53 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.02 139.97 24.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 60.009999999999998 110.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -146.06 162.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 41.310000000000002 109.249 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.613 HG22 ' OE2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -130.65 112.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 63.119999999999997 109.269 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 50' ' ' THR . 1.7 mm -106.57 134.87 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 64.400000000000006 109.263 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.613 ' OE2' HG22 ' A' ' 34' ' ' ILE . 1.8 pm0 -154.32 158.14 39.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 73.349999999999994 110.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -66.43 149.71 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 73.239999999999995 110.308 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -67.11 141.26 57.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 54.109999999999999 111.038 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.519 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 23.5 mtmt -57.41 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 73.549999999999997 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.64 6.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 74.450000000000003 110.961 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 9.4 tp10 -111.66 103.89 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 62.140000000000001 110.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -110.98 -28.6 8.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.400000000000006 109.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.0 mm-40 -38.84 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 65.430000000000007 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD21 ' NE2' ' A' ' 77' ' ' GLN . 5.1 mt -54.94 157.04 6.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 74.319999999999993 109.267 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 166.48 29.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 72.019999999999996 110.976 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.03 135.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 71.25 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.545 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -65.75 140.81 58.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 70.209999999999994 109.301 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.545 ' H ' HD13 ' A' ' 47' ' ' LEU . 29.1 t0 -44.29 -46.19 9.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 65.120000000000005 109.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -144.8 -176.44 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 64.030000000000001 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 35' ' ' ILE . 27.7 m -116.99 -10.08 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 64.230000000000004 110.404 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 12.2 mtmm -113.26 132.62 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 74.5 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.797 ' HB3' HD11 ' B' ' 341' ' ' LEU . 24.1 m-85 -137.13 149.6 47.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 64.540000000000006 110.984 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.878 HD21 HG12 ' A' ' 23' ' ' ILE . 36.9 mt -116.64 104.01 10.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 70.040000000000006 109.331 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.854 HG11 HD13 ' A' ' 95' ' ' ILE . 2.6 t -88.43 141.58 30.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 54.109999999999999 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.545 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.99 124.67 8.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 72.209999999999994 111.04 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 19.2 p-10 -76.43 57.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.209999999999994 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.8 p-80 -163.28 29.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 109.624 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 m -147.63 -158.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 63.399999999999999 109.255 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -119.07 154.76 32.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 54.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.554 ' CE ' HG21 ' A' ' 83' ' ' VAL . 1.5 ppp? -52.71 -21.96 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 72.030000000000001 110.976 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -61.7 -35.12 77.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 60.520000000000003 110.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.61 -50.59 69.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 65.319999999999993 110.327 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 67' ' ' ILE . 6.7 tp -53.57 -36.35 61.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.349999999999994 109.26 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.13 -32.71 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 62.299999999999997 109.308 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -79.2 -39.94 32.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 65.209999999999994 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.84 HG21 ' HB3' ' B' ' 341' ' ' LEU . 11.9 mm -65.7 -30.53 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.229999999999997 109.247 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.602 HG12 HD12 ' A' ' 63' ' ' LEU . 9.6 mm -72.51 -69.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.109999999999999 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.568 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -41.52 -36.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 75.109999999999999 110.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 69' ' ' ARG . 4.5 mmm180 -58.17 -46.68 85.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 110.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' CD ' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.53 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 71.150000000000006 110.338 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.478 ' HB3' HD21 ' A' ' 73' ' ' LEU . 8.3 mt -60.39 -16.97 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 72.230000000000004 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' LEU . 23.3 pt20 38.57 47.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 73.519999999999996 110.346 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.779 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -83.96 -178.3 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 60.030000000000001 109.304 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 4.4 m120 -129.92 -175.02 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 74.200000000000003 109.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.93 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 44.43 109.346 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -51.55 -40.22 59.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.316 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.779 ' HG2' HD22 ' A' ' 73' ' ' LEU . 50.5 tp60 -91.68 138.01 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 75.299999999999997 110.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.63 127.65 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 75.299999999999997 109.318 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 68' ' ' ARG . 1.1 t80 -116.6 134.55 54.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.540000000000006 110.975 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 117' ' ' GLU . 5.9 m-85 -143.41 121.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 53.43 110.994 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD11 HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -92.5 135.94 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 70.099999999999994 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 81' ' ' LEU . 1.8 mm? -116.3 104.87 11.93 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 74.120000000000005 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.585 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 3.2 t -73.16 108.91 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 75.329999999999998 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.34 24.04 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 73.329999999999998 109.234 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.79 7.83 77.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 61.149999999999999 110.99 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 11.5 p80 -130.22 139.69 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 74.019999999999996 109.584 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.421 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.0 OUTLIER -57.47 172.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 72.540000000000006 110.113 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.41 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -120.06 19.34 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 73.310000000000002 111.069 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 90' ' ' SER . 7.1 p -40.56 120.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 72.209999999999994 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.5 OUTLIER 84.34 44.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 43.149999999999999 110.031 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.587 HG13 ' H ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -37.88 -77.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 73.430000000000007 109.3 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.587 ' H ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER 38.23 30.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 74.420000000000002 109.964 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.691 HG22 HG23 ' A' ' 98' ' ' VAL . 88.1 m -142.11 139.36 17.86 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 72.010000000000005 110.424 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.451 ' HG2' ' CG ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 137.95 22.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.464 1.771 . . . . 74.200000000000003 110.986 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.854 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -53.84 -20.69 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 74.510000000000005 109.279 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.0 p -70.7 -37.93 73.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 73.109999999999999 109.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.451 ' CG ' ' HG2' ' A' ' 94' ' ' PRO . 54.3 mm-40 -85.56 -47.47 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 74.430000000000007 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.691 HG23 HG22 ' A' ' 93' ' ' THR . 7.9 t -52.72 -30.46 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.030000000000001 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.751 ' CD2' HD23 ' A' ' 109' ' ' LEU . 5.0 t80 -82.16 -38.1 25.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.420000000000002 110.985 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -83.41 -3.94 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.239999999999995 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.2 m -112.32 5.83 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 63.149999999999999 110.062 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 109' ' ' LEU . 17.3 mm-40 -135.34 -46.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 75.099999999999994 110.328 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.0 ppt_? -37.29 147.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 73.510000000000005 110.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.81 -174.91 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 52.109999999999999 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.96 -47.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 74.25 110.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 8.4 p-10 -49.66 -48.61 49.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 72.310000000000002 109.329 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.668 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 98.83 12.45 43.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 33.439999999999998 110.97 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -114.34 134.34 55.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 73.310000000000002 111.041 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.751 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -77.88 135.58 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 71.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.453 ' CE2' ' OD1' ' A' ' 106' ' ' ASP . 89.5 m-85 -112.78 120.91 43.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 111.004 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.499 ' SD ' HD21 ' A' ' 63' ' ' LEU . 4.2 mtt -130.96 150.29 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 64.010000000000005 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.518 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.9 t -135.27 119.68 26.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 4.1 p90 -100.82 153.25 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -166.96 179.03 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 24.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.2 t -87.66 20.43 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 63.340000000000003 109.985 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -149.85 136.43 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.450000000000003 110.248 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 5.2 tt0 -120.7 -5.85 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 54.409999999999997 110.348 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 61.450000000000003 110.365 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.31 -0.626 . . . . 74.409999999999997 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.835 ' CE2' HD13 ' A' ' 23' ' ' ILE . 16.5 m0 -46.87 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.140000000000001 108.055 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 179.33 124.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 75.25 110.4 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -79.46 118.35 21.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 75.310000000000002 109.583 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.84 ' HB3' HG21 ' A' ' 66' ' ' ILE . 3.6 mt -81.5 116.16 21.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.230000000000004 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -108.55 127.38 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 62.219999999999999 110.002 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.35 11.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 53.030000000000001 109.99 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -23.01 13.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 71.409999999999997 109.319 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.84 -0.6 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.520000000000003 110.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.557 ' CG1' HD13 ' A' ' 66' ' ' ILE . 4.4 m -76.85 -179.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 73.120000000000005 109.284 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 64.450000000000003 109.306 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.015 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.1 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.474 0.178 . . . . 71.109999999999999 110.963 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' VAL . 23.3 mm-40 -53.06 -19.18 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 72.439999999999998 110.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.39 -29.28 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 75.040000000000006 110.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.737 HH21 HG13 ' A' ' 34' ' ' ILE . 15.1 mtp85 -90.42 -21.87 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 73.109999999999999 110.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.015 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.2 m -75.15 -39.0 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 72.239999999999995 109.333 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -64.58 -14.8 59.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.549999999999997 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.47 ' OD2' ' CE ' ' A' ' 51' ' ' LYS . 22.8 t0 -77.81 -59.1 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 51.310000000000002 109.272 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.991 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.32 -46.77 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 71.230000000000004 109.288 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 44.9 ttm-85 -38.29 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.349999999999994 110.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 2.7 mt -72.92 -64.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 64.329999999999998 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.913 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -53.29 -20.75 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 73.030000000000001 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.72 -36.06 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 74.040000000000006 110.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -8.81 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.540000000000006 110.287 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -103.45 -54.2 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 110.328 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' ND1' HD13 ' A' ' 53' ' ' LEU . 10.8 m-70 -117.75 80.23 13.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.540000000000006 109.618 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -28.24 9.43 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 74.040000000000006 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -89.73 23.98 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 72.209999999999994 110.39 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -135.76 163.14 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 74.25 109.282 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.617 HG23 ' CG ' ' A' ' 99' ' ' TYR . 6.6 mm -116.26 120.38 35.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 63.340000000000003 109.283 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.563 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.502 1.791 . . . . 60.009999999999998 110.978 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.35 155.13 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 41.310000000000002 109.28 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.737 HG13 HH21 ' A' ' 16' ' ' ARG . 16.1 mm -128.03 102.31 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 63.119999999999997 109.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.991 HD13 HD11 ' A' ' 67' ' ' ILE . 29.2 mt -98.78 126.72 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 64.400000000000006 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.618 ' HG2' HG23 ' A' ' 50' ' ' THR . 6.0 mm-40 -136.76 170.87 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 73.349999999999994 110.285 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -79.07 142.4 36.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 110.343 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.4 t80 -61.92 145.08 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 54.109999999999999 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.5 ptpp? -60.0 91.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 73.549999999999997 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.75 20.59 6.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 74.450000000000003 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.7 tp10 -111.08 103.91 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 62.140000000000001 110.282 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -111.91 -31.15 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 64.400000000000006 109.195 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.446 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 27.8 mm-40 -38.48 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 65.430000000000007 110.246 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.639 HD11 ' N ' ' A' ' 115' ' ' SER . 1.1 mp -55.99 156.52 9.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.347 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.489 ' HD2' HD13 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.06 165.2 31.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 72.019999999999996 110.992 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.2 t -81.68 122.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 71.25 109.288 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.815 HD22 HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -40.09 141.68 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 70.209999999999994 109.321 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.456 ' H ' HD13 ' A' ' 47' ' ' LEU . 13.8 t0 -41.94 -42.76 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 109.263 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -147.61 -167.59 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 64.030000000000001 109.299 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.618 HG23 ' HG2' ' A' ' 36' ' ' GLU . 1.8 m -114.36 -28.12 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 64.230000000000004 110.38 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 7.2 mtmm -96.45 129.71 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 74.5 109.287 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 60.1 m-85 -140.45 135.25 31.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 64.540000000000006 110.993 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.913 HD21 HG12 ' A' ' 23' ' ' ILE . 37.4 mt -103.0 103.28 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 70.040000000000006 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.775 HG11 HD13 ' A' ' 95' ' ' ILE . 1.9 t -86.03 142.8 36.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 54.109999999999999 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.656 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.03 132.82 15.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.559 1.82 . . . . 72.209999999999994 110.953 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.11 11.79 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.321 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.453 ' ND1' HG13 ' A' ' 58' ' ' VAL . 28.7 p80 -106.98 -1.45 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 109.598 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 55' ' ' PRO . 4.7 m -119.86 -161.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 63.399999999999999 109.352 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -123.2 171.43 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 54.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.627 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -61.0 -27.13 68.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 72.030000000000001 111.013 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.693 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -60.56 -57.82 11.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 60.520000000000003 110.074 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.84 -47.96 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 65.319999999999993 110.358 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.854 HD23 HD12 ' B' ' 341' ' ' LEU . 0.6 OUTLIER -48.91 -41.24 33.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 109.31 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.45 HD13 HD13 ' A' ' 63' ' ' LEU . 24.6 mm -54.9 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 62.299999999999997 109.291 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -44.69 -38.78 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 65.209999999999994 109.265 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.603 HG21 HD13 ' B' ' 341' ' ' LEU . 1.5 mm -62.76 -58.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 63.229999999999997 109.327 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.991 HD11 HD13 ' A' ' 35' ' ' ILE . 31.8 mm -43.89 -55.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 74.109999999999999 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.521 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.8 mtt180 -42.26 -55.92 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 75.109999999999999 110.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.55 -32.13 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 73.230000000000004 110.329 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -71.26 -51.27 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 71.150000000000006 110.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.815 HD21 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -62.03 -22.55 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 72.230000000000004 109.313 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 22.8 pt20 45.04 55.18 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 73.519999999999996 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.674 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -93.71 -172.27 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 60.030000000000001 109.212 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -110.41 -174.75 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.200000000000003 109.348 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.94 -4.68 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 44.43 109.366 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -96.14 -29.81 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.674 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.2 tp60 -80.9 138.67 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 110.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.15 143.82 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 109.346 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.708 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 2.6 t80 -141.91 133.67 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 75.540000000000006 111.0 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 22.4 m-85 -141.98 115.26 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 53.43 111.022 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.624 HD12 HG13 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -84.72 124.34 31.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 70.099999999999994 109.328 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -100.03 119.1 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.319 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.9 t -85.41 106.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.244 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.42 9.05 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 73.329999999999998 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.61 2.1 37.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 61.149999999999999 110.984 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 19.0 p80 -123.56 129.12 50.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 0.803 . . . . 74.019999999999996 109.583 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.568 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -57.55 172.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 72.540000000000006 109.945 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.61 40.83 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.992 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.3 p -38.63 -31.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 109.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.7 t -122.01 102.6 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 43.149999999999999 109.982 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.693 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -105.11 87.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 73.430000000000007 109.344 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.5 13.6 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 74.420000000000002 109.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.606 HG22 HG23 ' A' ' 98' ' ' VAL . 29.1 m -125.22 144.48 47.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.010000000000005 110.335 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.94 138.73 23.58 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.48 1.779 . . . . 74.200000000000003 111.062 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.775 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -47.53 -25.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 74.510000000000005 109.261 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -64.8 -44.37 90.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 73.109999999999999 110.032 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' SER . 43.6 mt-10 -79.46 -54.88 5.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.35 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.606 HG23 HG22 ' A' ' 93' ' ' THR . 18.9 t -41.75 -33.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.030000000000001 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.617 ' CG ' HG23 ' A' ' 31' ' ' ILE . 2.7 t80 -78.46 -47.4 17.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 73.420000000000002 110.965 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -4.44 33.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.321 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -114.18 -1.17 13.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 63.149999999999999 110.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.754 ' HB2' HD21 ' A' ' 109' ' ' LEU . 10.5 mm-40 -126.37 -57.32 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.44 155.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 73.510000000000005 110.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' GLU . 4.0 t0 -111.24 -178.63 3.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 52.109999999999999 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' ASP . 10.1 mt-10 -38.44 -49.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 74.25 110.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.756 ' CB ' HG12 ' A' ' 17' ' ' VAL . 18.4 p-10 -40.0 -51.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 72.310000000000002 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.991 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 100.84 24.68 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 33.439999999999998 111.03 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.783 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -129.88 133.59 46.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 73.310000000000002 111.052 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.7 mt -79.2 148.65 32.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 71.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.38 107.13 7.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 75.439999999999998 110.996 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.597 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.3 mtt -122.97 148.63 45.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 64.010000000000005 110.973 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.4 t -120.51 125.96 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.346 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 8.1 p90 -106.72 153.67 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 73.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.588 ' HA ' HD13 ' A' ' 44' ' ' LEU . . . -173.14 178.23 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 24.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.639 ' N ' HD11 ' A' ' 44' ' ' LEU . 10.9 t -90.66 31.31 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 63.340000000000003 109.935 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 3.6 pt20 -149.9 123.93 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.450000000000003 110.342 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 5.3 tt0 -107.6 -7.05 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 54.409999999999997 110.274 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 61.450000000000003 110.415 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.256 -0.646 . . . . 74.409999999999997 109.256 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.898 ' CE2' HD13 ' A' ' 23' ' ' ILE . 1.4 m0 -68.26 -153.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 73.140000000000001 107.969 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.83 156.18 16.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 75.25 110.385 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.91 130.99 55.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.310000000000002 109.574 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.854 HD12 HD23 ' A' ' 63' ' ' LEU . 3.3 mt -98.82 123.8 43.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 73.230000000000004 109.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -124.37 127.1 47.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 62.219999999999999 109.989 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.407 ' HA ' ' CG1' ' B' ' 346' ' ' VAL . 0.0 OUTLIER -87.74 11.86 14.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 53.030000000000001 110.038 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -25.38 13.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 71.409999999999997 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.1 -1.05 57.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 61.520000000000003 110.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.407 ' CG1' ' HA ' ' B' ' 343' ' ' SER . 14.9 m -71.64 -173.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 73.120000000000005 109.195 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 37.2 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 64.450000000000003 109.339 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.81 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.523 0.202 . . . . 71.109999999999999 110.976 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.85 -34.77 71.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 72.439999999999998 110.238 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -79.38 -34.04 42.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 110.263 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -73.37 -28.16 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 73.109999999999999 110.311 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 13' ' ' PHE . 94.0 t -77.79 -34.92 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 72.239999999999995 109.257 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -79.12 -37.69 38.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 74.549999999999997 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.87 -49.4 76.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 51.310000000000002 109.339 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.937 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.5 OUTLIER -68.95 -48.97 67.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 71.230000000000004 109.334 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 62.7 ttt180 -43.66 -26.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 73.349999999999994 110.319 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -74.72 -63.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 64.329999999999998 109.317 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.894 HG12 HD21 ' A' ' 53' ' ' LEU . 1.1 mp -51.7 -20.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 73.030000000000001 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 2.5 mmp_? -67.34 -38.21 84.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.040000000000006 110.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' OE2' ' C ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -93.49 -37.4 11.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 75.540000000000006 110.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.484 ' C ' ' CD2' ' A' ' 27' ' ' HIS . 49.1 mt-30 -78.12 -22.45 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 74.230000000000004 110.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.484 ' CD2' ' C ' ' A' ' 26' ' ' GLN . 32.1 m-70 -150.77 71.14 8.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.540000000000006 109.58 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.82 11.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.422 1.748 . . . . 74.040000000000006 110.955 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -88.12 12.08 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.209999999999994 110.38 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 7.9 mmtp -125.83 169.31 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 74.25 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.562 HG21 ' HB2' ' A' ' 99' ' ' TYR . 7.0 mm -119.69 121.01 30.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 63.340000000000003 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.4 Cg_endo -74.87 130.16 13.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 60.009999999999998 111.004 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 111' ' ' MET . 1.5 m -140.9 159.36 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 41.310000000000002 109.279 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.952 HG22 ' OE1' ' A' ' 36' ' ' GLU . 20.4 mm -131.41 118.07 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 63.119999999999997 109.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.847 HD12 HD11 ' A' ' 81' ' ' LEU . 4.1 mm -103.75 127.46 57.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 64.400000000000006 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.952 ' OE1' HG22 ' A' ' 34' ' ' ILE . 2.3 mp0 -133.35 162.19 32.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 73.349999999999994 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -82.09 126.04 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 110.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.64 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.4 t80 -46.91 140.85 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 54.109999999999999 110.94 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -56.82 97.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 73.549999999999997 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CD ' ' A' ' 42' ' ' LYS . . . 112.88 14.65 9.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 74.450000000000003 111.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.575 ' OE1' ' CE1' ' A' ' 113' ' ' TYR . 6.0 tt0 -86.07 122.32 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 0.801 . . . . 62.140000000000001 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -124.05 -42.84 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 64.400000000000006 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -42.34 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 65.430000000000007 110.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.471 HD12 HD11 ' A' ' 73' ' ' LEU . 2.3 mm? -55.14 144.82 48.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 74.319999999999993 109.28 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.93 167.08 27.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 72.019999999999996 110.996 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.57 111.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.25 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.63 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.18 148.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 70.209999999999994 109.312 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.63 ' H ' HD13 ' A' ' 47' ' ' LEU . 45.2 t0 -54.36 -43.28 71.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 65.120000000000005 109.351 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.63 ' HE2' HG21 ' B' ' 339' ' ' THR . 0.0 OUTLIER -142.81 -175.19 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 64.030000000000001 109.354 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.916 HG22 HG23 ' A' ' 34' ' ' ILE . 11.0 m -115.08 -32.29 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 64.230000000000004 110.375 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HA ' HD13 ' A' ' 34' ' ' ILE . 6.5 mtmm -83.69 130.89 34.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 74.5 109.247 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.704 ' HA ' HG22 ' B' ' 339' ' ' THR . 83.4 m-85 -140.43 135.34 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 64.540000000000006 111.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.894 HD21 HG12 ' A' ' 23' ' ' ILE . 41.1 mt -104.33 104.06 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 70.040000000000006 109.319 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.797 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -87.45 142.27 32.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 54.109999999999999 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.622 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.04 131.93 14.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 72.209999999999994 110.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 6.0 p-10 -87.57 44.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -141.55 15.3 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 109.532 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.19 -164.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 63.399999999999999 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -112.22 161.69 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 54.0 109.287 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.642 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.1 ppp? -56.53 -20.54 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 110.972 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.649 ' CB ' HG11 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -62.61 -53.47 54.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 60.520000000000003 110.026 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 20.5 mm-40 -42.12 -55.78 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 65.319999999999993 110.253 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.951 HD12 HD11 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -40.72 -46.57 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 109.308 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mm -53.38 -47.63 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 62.299999999999997 109.274 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' GLU . 37.4 mttt -62.01 -27.92 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 65.209999999999994 109.351 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.691 HG21 HD13 ' B' ' 341' ' ' LEU . 3.5 mm -71.89 -58.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 63.229999999999997 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.636 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 10.5 mm -48.28 -62.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.335 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.9 ptm85 -50.41 -37.31 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 75.109999999999999 110.333 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' B' ' 345' ' ' GLU . 11.4 mmm180 -69.09 -27.14 65.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 73.230000000000004 110.344 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.531 ' HD3' ' HZ1' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -78.15 -42.69 30.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 71.150000000000006 110.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.559 HD21 HD22 ' A' ' 47' ' ' LEU . 18.1 mt -70.38 -13.5 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 109.255 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.4 pt20 44.96 50.15 9.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 73.519999999999996 110.329 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.738 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.4 mt -86.94 -174.05 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 60.030000000000001 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -123.28 -175.79 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 74.200000000000003 109.241 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.22 71.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 44.43 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -64.34 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 74.340000000000003 109.261 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.738 ' HG2' HD22 ' A' ' 73' ' ' LEU . 41.3 tp60 -87.89 127.12 35.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.299999999999997 110.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.09 129.96 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 109.295 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.636 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -130.56 136.89 49.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 75.540000000000006 111.032 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 14.3 m-85 -143.52 131.4 21.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 53.43 110.974 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.847 HD11 HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -102.39 118.66 37.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 70.099999999999994 109.279 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -95.74 101.23 12.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 74.120000000000005 109.333 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.642 HG21 ' CE ' ' A' ' 60' ' ' MET . 3.0 t -66.57 110.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 75.329999999999998 109.329 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.43 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 2.0 m-20 67.08 22.54 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.329999999999998 109.251 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.49 4.99 72.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.56 1.162 . . . . 61.149999999999999 111.027 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.9 p80 -124.41 136.71 54.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 74.019999999999996 109.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.425 ' HA ' HD12 ' A' ' 82' ' ' LEU . 4.8 p -58.14 172.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 72.540000000000006 109.93 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.424 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -129.33 15.09 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 73.310000000000002 111.032 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.493 HG21 ' OE1' ' A' ' 117' ' ' GLU . 88.9 t -40.45 122.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.209999999999994 109.272 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.4 t 81.97 50.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 43.149999999999999 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.649 HG11 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -40.39 100.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 73.430000000000007 109.297 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -114.32 24.91 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.420000000000002 110.041 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.708 HG22 HG23 ' A' ' 98' ' ' VAL . 43.8 m -157.11 139.36 10.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.010000000000005 110.392 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 93' ' ' THR . 18.0 Cg_endo -75.06 147.03 33.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.452 1.764 . . . . 74.200000000000003 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.951 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -55.45 -19.3 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.510000000000005 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.1 67.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.109999999999999 110.025 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 101' ' ' SER . 15.8 mm-40 -93.25 -52.28 4.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 74.430000000000007 110.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.708 HG23 HG22 ' A' ' 93' ' ' THR . 6.6 t -42.74 -29.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.588 ' HA ' HD11 ' A' ' 109' ' ' LEU . 7.2 t80 -75.73 -58.99 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.204 . . . . 73.420000000000002 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 1.8 pt-20 -69.48 -6.65 31.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 110.265 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' GLU . 10.9 m -106.1 -2.11 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 1.129 . . . . 63.149999999999999 110.022 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.684 ' HB2' HD21 ' A' ' 109' ' ' LEU . 16.3 mm-40 -131.27 -60.82 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 75.099999999999994 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.81 146.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 73.510000000000005 110.26 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ASP . 2.0 t0 -100.92 176.8 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.109999999999999 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -39.06 -30.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 74.25 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.602 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -53.6 -51.69 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 72.310000000000002 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.937 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 101.16 10.9 40.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.449 1.093 . . . . 33.439999999999998 111.016 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -117.69 127.47 53.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 73.310000000000002 111.068 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 102' ' ' GLU . 4.4 mt -80.27 136.47 36.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 71.0 109.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -119.07 107.16 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.981 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.614 ' HB3' HD22 ' A' ' 81' ' ' LEU . 20.0 mtt -115.41 148.07 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 64.010000000000005 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.626 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.4 t -123.85 114.51 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 73.329999999999998 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.581 ' HD2' HG22 ' A' ' 35' ' ' ILE . 4.6 p90 -102.14 161.91 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 73.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -179.25 179.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 24.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.425 ' OG ' ' NE2' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -87.06 23.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 63.340000000000003 110.014 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -149.67 133.46 16.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 70.450000000000003 110.352 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 5.4 tt0 -116.14 -7.45 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 54.409999999999997 110.362 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 61.450000000000003 110.41 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 6.8 p30 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.311 -0.626 . . . . 74.409999999999997 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -65.13 -155.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.140000000000001 107.945 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.704 HG22 ' HA ' ' A' ' 52' ' ' PHE . 5.4 t -95.82 149.98 20.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 75.25 110.348 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.86 120.97 40.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 75.310000000000002 109.63 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.691 HD13 HG21 ' A' ' 66' ' ' ILE . 2.8 mt -94.41 116.36 28.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 73.230000000000004 109.365 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -113.71 126.09 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 62.219999999999999 109.931 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.835 ' O ' HG22 ' B' ' 346' ' ' VAL . 3.9 p -79.95 -2.06 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 53.030000000000001 110.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -29.36 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 71.409999999999997 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . 0.417 ' O ' ' NH2' ' A' ' 69' ' ' ARG . 45.1 mt-10 -77.74 -7.01 55.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 61.520000000000003 110.273 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.835 HG22 ' O ' ' B' ' 343' ' ' SER . 10.3 m -78.86 176.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 64.450000000000003 109.296 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.1 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.517 0.199 . . . . 71.109999999999999 110.998 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -47.81 -42.21 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 110.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.3 mm100 -65.18 -40.93 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 75.040000000000006 110.229 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.564 HH21 ' N ' ' A' ' 13' ' ' PHE . 68.6 mtm180 -69.2 -25.24 64.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 110.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.771 HG22 ' CB ' ' A' ' 106' ' ' ASP . 64.6 t -73.22 -45.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 72.239999999999995 109.317 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.62 -49.0 76.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 110.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NE1' ' B' ' 338' ' ' TRP . 1.9 t70 -48.8 -39.11 24.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 51.310000000000002 109.296 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.25 -36.68 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 71.230000000000004 109.306 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -52.53 -21.6 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 73.349999999999994 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -92.82 -63.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 64.329999999999998 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.794 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -49.64 -22.9 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.030000000000001 109.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -76.1 -36.65 58.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 74.040000000000006 110.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.44 -4.58 34.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 75.540000000000006 110.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' LEU . 36.3 mt-30 -106.4 -53.33 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.230000000000004 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -120.94 81.13 34.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.540000000000006 109.62 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.88 -35.26 3.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 74.040000000000006 111.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -89.91 33.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 72.209999999999994 110.377 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -138.52 148.34 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 74.25 109.28 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.663 HG23 ' CG ' ' A' ' 99' ' ' TYR . 28.0 mm -101.9 113.86 65.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.99 136.46 20.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 60.009999999999998 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -146.39 149.05 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 41.310000000000002 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.0 mm -120.86 95.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 63.119999999999997 109.318 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 50' ' ' THR . 58.4 mt -92.19 127.65 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 64.400000000000006 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -127.77 168.53 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 73.349999999999994 110.289 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -79.73 132.24 36.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.239999999999995 110.337 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.694 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.8 t80 -58.16 131.45 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 54.109999999999999 110.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 3.8 ptmm? -51.18 102.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 73.549999999999997 109.327 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.34 13.1 12.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 110.972 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.51 103.93 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 62.140000000000001 110.309 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.95 -33.84 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 64.400000000000006 109.274 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 18.4 mm-40 -51.35 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 65.430000000000007 110.32 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD11 ' N ' ' A' ' 115' ' ' SER . 3.2 mt -54.83 147.58 31.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 74.319999999999993 109.267 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.461 ' HD2' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.555 1.818 . . . . 72.019999999999996 110.954 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.53 131.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.25 109.305 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.66 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -61.44 147.79 43.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.329 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.66 ' H ' HD13 ' A' ' 47' ' ' LEU . 2.3 m-20 -46.98 -40.96 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 65.120000000000005 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.463 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -153.81 -174.11 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 64.030000000000001 109.34 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 35' ' ' ILE . 24.4 m -112.55 -29.42 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 64.230000000000004 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 8.9 mtmm -88.72 123.58 33.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 74.5 109.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.657 ' HB3' HD11 ' B' ' 341' ' ' LEU . 94.2 m-85 -132.27 146.2 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 64.540000000000006 111.033 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.651 HD21 HG12 ' A' ' 23' ' ' ILE . 59.1 mt -113.84 103.76 11.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 70.040000000000006 109.31 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.848 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -87.71 142.38 32.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 54.109999999999999 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.634 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.04 133.11 16.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.789 . . . . 72.209999999999994 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 4.4 p-10 -86.34 44.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.209999999999994 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.957 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.31 14.52 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 74.420000000000002 109.562 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.957 HG13 ' ND1' ' A' ' 57' ' ' HIS . 24.4 m -137.34 -165.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 63.399999999999999 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.472 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -116.52 157.62 24.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 54.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.563 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.1 ppp? -47.35 -24.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.142 . . . . 72.030000000000001 110.954 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.625 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.4 -52.18 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 60.520000000000003 110.035 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' LYS . 6.5 mm-40 -44.84 -49.85 10.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.319999999999993 110.343 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.057 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.06 -40.0 43.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 75.349999999999994 109.269 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.807 HD13 HD13 ' A' ' 63' ' ' LEU . 27.9 mm -62.86 -30.44 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 62.299999999999997 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -75.71 -31.39 59.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 65.209999999999994 109.345 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.87 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.5 mm -70.96 -54.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 63.229999999999997 109.34 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.521 HG21 ' CE1' ' A' ' 79' ' ' PHE . 14.0 mm -52.18 -61.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 109.323 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.725 HH21 HG22 ' A' ' 64' ' ' ILE . 5.5 ptp180 -56.78 -22.4 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 75.109999999999999 110.348 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.684 HH21 ' CB ' ' B' ' 347' ' ' ASP . 5.3 mmt180 -79.76 -24.73 41.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 73.230000000000004 110.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -84.16 -46.14 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 71.150000000000006 110.268 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLN . 6.9 mt -66.44 -25.04 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.230000000000004 109.301 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' LEU . 25.6 pt20 37.47 49.72 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 73.519999999999996 110.243 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.683 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -72.96 -173.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 60.030000000000001 109.351 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 76' ' ' ASN . 19.7 p30 -104.41 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 74.200000000000003 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.67 59.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 44.43 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.415 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . 7.7 t-20 -83.4 -28.39 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.340000000000003 109.32 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.683 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.0 tp60 -86.09 138.17 32.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 75.299999999999997 110.316 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.56 128.69 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.299999999999997 109.348 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CE1' HG21 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -120.94 141.93 50.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.540000000000006 110.971 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.93 132.96 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 53.43 110.983 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.474 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -98.33 122.58 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 70.099999999999994 109.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.919 HD21 ' O ' ' A' ' 116' ' ' GLN . 2.5 mm? -105.12 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.9 HG22 ' SD ' ' A' ' 111' ' ' MET . 4.0 t -76.14 111.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.329999999999998 109.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 66.86 10.92 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 73.329999999999998 109.254 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.96 11.61 39.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 61.149999999999999 111.014 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.63 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.0 p80 -131.23 143.59 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 74.019999999999996 109.658 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.434 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 83.7 p -57.81 166.67 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 72.540000000000006 109.963 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.406 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.78 11.48 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 111.015 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' SER . 6.4 p -39.44 133.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 86.16 22.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 43.149999999999999 109.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.625 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -39.37 97.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 73.430000000000007 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' SER . 18.8 t -131.86 9.42 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 109.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 96.7 m -119.99 143.64 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 72.010000000000005 110.36 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.96 139.56 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 74.200000000000003 111.028 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.848 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.29 -23.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.510000000000005 109.229 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -68.59 -39.21 81.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 73.109999999999999 109.976 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 40.7 mm-40 -85.13 -48.63 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.362 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.421 HG23 HG22 ' A' ' 93' ' ' THR . 38.9 t -48.15 -34.95 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 73.030000000000001 109.288 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.762 ' CD2' HD23 ' A' ' 109' ' ' LEU . 1.2 t80 -80.94 -34.85 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 73.420000000000002 110.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -82.86 -4.24 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 m -114.57 5.61 15.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 63.149999999999999 109.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 103' ' ' ARG . 18.5 mm-40 -134.4 -46.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 75.099999999999994 110.301 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.99 153.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.510000000000005 110.339 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -174.99 2.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 52.109999999999999 109.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.9 -43.84 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 74.25 110.304 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.771 ' CB ' HG22 ' A' ' 17' ' ' VAL . 19.9 p-10 -53.63 -47.7 70.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 72.310000000000002 109.26 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.8 23.94 7.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 33.439999999999998 111.023 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.767 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.07 132.33 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 73.310000000000002 111.023 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.79 138.75 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 71.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -126.22 106.85 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 111.026 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.9 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.2 mtt -133.31 154.07 51.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 64.010000000000005 110.965 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -116.09 143.89 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 73.329999999999998 109.301 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -121.72 139.93 52.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.694 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -168.29 179.23 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 24.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.493 ' N ' HD11 ' A' ' 44' ' ' LEU . 23.6 t -85.7 39.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 110.019 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.919 ' O ' HD21 ' A' ' 82' ' ' LEU . 2.4 mt-30 -147.73 128.62 14.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 70.450000000000003 110.31 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 80' ' ' PHE . 9.7 tt0 -127.38 -2.81 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 54.409999999999997 110.306 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 61.450000000000003 110.416 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.284 -0.635 . . . . 74.409999999999997 109.284 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.794 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -82.13 -153.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 73.140000000000001 108.005 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.413 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -98.23 147.36 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 75.25 110.4 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.87 123.51 46.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 109.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.87 ' HB3' HG21 ' A' ' 66' ' ' ILE . 4.8 mt -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 109.35 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.46 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -111.38 123.11 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 62.219999999999999 109.984 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.658 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.4 OUTLIER -85.19 10.52 12.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 53.030000000000001 110.041 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.09 -29.65 13.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 71.409999999999997 109.313 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.6 -1.4 57.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.520000000000003 110.287 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 343' ' ' SER . 22.3 m -76.97 178.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 73.120000000000005 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . 0.684 ' CB ' HH21 ' A' ' 69' ' ' ARG . 14.8 t0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 64.450000000000003 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.797 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.0 t80 . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.478 0.18 . . . . 71.109999999999999 110.957 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.499 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 8.2 mt-10 -65.59 -31.07 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 110.337 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.858 ' HB3' HH21 ' A' ' 16' ' ' ARG . 6.0 mm100 -70.57 -47.29 60.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 75.040000000000006 110.279 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.858 HH21 ' HB3' ' A' ' 15' ' ' GLN . 5.9 mmp_? -61.58 -55.02 35.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 73.109999999999999 110.298 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 106' ' ' ASP . 7.1 p -56.46 -38.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.239999999999995 109.295 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 24.2 tt0 -55.15 -57.7 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 74.549999999999997 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' ARG . 9.8 t0 -49.92 -53.86 23.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 51.310000000000002 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.648 HG21 ' O ' ' A' ' 107' ' ' GLY . 8.5 t -39.77 -32.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 71.230000000000004 109.319 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 8.7 ttt85 -57.28 -53.12 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 73.349999999999994 110.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.9 mt -56.84 -51.09 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 64.329999999999998 109.292 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.802 HD13 ' CE2' ' B' ' 338' ' ' TRP . 1.2 tp -62.26 -27.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 73.030000000000001 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.3 mmm180 -71.9 -33.42 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.261 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -100.61 -4.7 27.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 75.540000000000006 110.27 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 22' ' ' LEU . 26.3 mt-30 -106.6 -59.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 110.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.66 ' CG ' HD13 ' A' ' 53' ' ' LEU . 8.2 m-70 -117.02 80.75 11.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 74.540000000000006 109.657 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -75.0 -32.78 5.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.552 1.817 . . . . 74.040000000000006 111.07 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -89.64 30.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.439 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 24.2 mmtt -138.13 144.93 41.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 74.25 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.628 HG23 ' CG ' ' A' ' 99' ' ' TYR . 17.0 mm -96.64 114.55 64.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 63.340000000000003 109.341 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.93 131.99 15.01 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.451 1.764 . . . . 60.009999999999998 111.018 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.67 160.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 41.310000000000002 109.344 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.554 HG12 ' CE1' ' A' ' 108' ' ' PHE . 1.9 mm -134.9 95.9 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 63.119999999999997 109.274 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.454 HD13 HG13 ' A' ' 67' ' ' ILE . 49.5 mt -95.89 129.17 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 64.400000000000006 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -131.83 165.7 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 73.349999999999994 110.323 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -73.62 136.07 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 73.239999999999995 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -57.53 139.95 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 54.109999999999999 111.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 13.4 ptmt -59.44 98.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 73.549999999999997 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.51 20.24 9.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 111.049 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.5 tm-20 -110.52 103.84 12.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 62.140000000000001 110.254 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 -22.43 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.299 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -44.29 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 65.430000000000007 110.348 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.64 HD11 ' N ' ' A' ' 115' ' ' SER . 1.2 mp -58.98 154.67 37.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.319999999999993 109.332 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD2' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 165.89 30.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 72.019999999999996 110.99 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.6 t -83.29 122.77 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 71.25 109.319 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.98 146.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 70.209999999999994 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.604 ' H ' HD13 ' A' ' 47' ' ' LEU . 1.3 m-20 -47.66 -44.78 27.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 65.120000000000005 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.445 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.1 OUTLIER -139.95 -172.15 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 64.030000000000001 109.392 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 m -113.98 -28.97 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 64.230000000000004 110.431 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.6 mtmp? -94.5 126.08 39.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 74.5 109.235 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 87.5 m-85 -135.87 126.96 27.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 64.540000000000006 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD13 ' CG ' ' A' ' 27' ' ' HIS . 14.0 mt -92.79 103.83 16.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 70.040000000000006 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.872 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -86.61 141.59 34.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 54.109999999999999 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.553 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 134.23 17.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.413 1.744 . . . . 72.209999999999994 110.954 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.7 p-10 -86.85 46.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.938 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -144.04 16.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 74.420000000000002 109.531 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.938 HG13 ' ND1' ' A' ' 57' ' ' HIS . 18.8 m -136.64 -162.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 63.399999999999999 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -113.82 174.66 5.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 54.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.627 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.5 ppp? -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 72.030000000000001 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.966 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -67.44 -42.44 83.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 60.520000000000003 109.959 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.04 -30.56 48.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.422 1.076 . . . . 65.319999999999993 110.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.784 HD23 HD12 ' B' ' 341' ' ' LEU . 0.4 OUTLIER -65.97 -29.63 70.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 75.349999999999994 109.322 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.966 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.3 mt -75.82 -41.9 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 62.299999999999997 109.258 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 65' ' ' LYS . 6.9 mmtt -61.96 -23.66 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 65.209999999999994 109.308 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.585 ' CG2' HD22 ' B' ' 341' ' ' LEU . 97.2 mt -89.32 -62.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 63.229999999999997 109.297 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.555 HG12 HD22 ' A' ' 63' ' ' LEU . 14.5 mm -39.78 -48.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 74.109999999999999 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 4.2 ptm85 -61.24 -44.16 97.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 75.109999999999999 110.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 14.8 mmm180 -57.88 -30.99 66.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.437 1.086 . . . . 73.230000000000004 110.276 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -40.4 64.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 71.150000000000006 110.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.549 ' HG ' HD22 ' A' ' 47' ' ' LEU . 33.8 mt -69.26 -8.61 47.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 72.230000000000004 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 21.9 pt20 45.83 39.62 5.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 73.519999999999996 110.323 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.658 HD22 ' HG2' ' A' ' 77' ' ' GLN . 18.1 mt -71.85 172.92 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 60.030000000000001 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -108.43 167.65 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 74.200000000000003 109.383 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.32 -15.69 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 44.43 109.272 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -86.13 -23.54 26.57 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 109.293 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.658 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.4 tp60 -83.39 139.4 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 75.299999999999997 110.317 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.21 138.37 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 75.299999999999997 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.763 ' HE1' HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -143.22 147.75 35.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 111.027 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 39.1 m-85 -143.46 119.98 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 53.43 110.956 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.62 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -86.75 109.66 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 70.099999999999994 109.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.637 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -92.09 116.06 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.120000000000005 109.307 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.867 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.8 t -85.79 110.65 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 75.329999999999998 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.425 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 71.84 7.18 5.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 73.329999999999998 109.277 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.22 6.75 38.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 61.149999999999999 110.976 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.7 p80 -128.32 139.19 52.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 74.019999999999996 109.594 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.726 ' HB2' HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -57.62 171.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 72.540000000000006 110.008 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.623 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -113.93 15.19 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 73.310000000000002 110.953 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.726 HG13 ' HB2' ' A' ' 87' ' ' SER . 3.2 m -40.24 126.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.209999999999994 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 89.13 21.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 43.149999999999999 110.036 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.627 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.21 107.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 73.430000000000007 109.369 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.77 12.38 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 110.06 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 54.3 m -124.18 143.21 42.02 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.462 1.101 . . . . 72.010000000000005 110.394 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.03 143.9 29.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 74.200000000000003 110.987 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.872 HD13 HG11 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -54.65 -20.23 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.510000000000005 109.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.5 p -68.77 -36.59 78.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 73.109999999999999 109.996 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' SER . 5.9 mm-40 -91.67 -50.06 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.05 -38.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.723 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -77.42 -36.04 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 73.420000000000002 111.003 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -81.49 -4.17 55.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.91 5.93 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 63.149999999999999 110.102 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE2' ' ND2' ' A' ' 84' ' ' ASN . 21.4 mm-40 -133.59 -48.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 75.099999999999994 110.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.16 149.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 73.510000000000005 110.363 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 -175.11 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 52.109999999999999 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -49.71 -47.73 50.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 74.25 110.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.872 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.1 p-10 -46.25 -50.48 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 72.310000000000002 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.648 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 102.21 45.48 1.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 33.439999999999998 110.987 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -145.28 131.38 19.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 73.310000000000002 110.987 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.723 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.47 138.25 38.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 71.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -124.6 108.97 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 75.439999999999998 110.97 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.867 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.6 mtt -130.27 139.17 50.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 64.010000000000005 111.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.0 t -110.55 133.76 54.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 73.329999999999998 109.302 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.565 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.8 p90 -113.19 152.93 29.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 1.149 . . . . 73.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.91 178.84 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 24.0 109.337 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.64 ' N ' HD11 ' A' ' 44' ' ' LEU . 6.5 t -88.18 24.29 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 63.340000000000003 110.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.8 tp60 -149.91 142.23 24.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 110.365 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.563 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 4.6 tt0 -122.49 -2.21 8.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 54.409999999999997 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 74.3 p . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 61.450000000000003 110.446 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.244 -0.65 . . . . 74.409999999999997 109.244 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.802 ' CE2' HD13 ' A' ' 23' ' ' ILE . 3.6 m0 -76.83 -152.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 73.140000000000001 108.022 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' B' ' 340' ' ' HIS . 2.1 m -89.49 168.74 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.25 110.406 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -125.04 121.68 35.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.310000000000002 109.569 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.784 HD12 HD23 ' A' ' 63' ' ' LEU . 6.8 mt -99.28 113.95 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 109.312 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.46 ' HB2' ' CG ' ' B' ' 345' ' ' GLU . 0.7 OUTLIER -111.45 123.96 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 62.219999999999999 109.976 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.761 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.3 OUTLIER -78.13 0.59 24.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 53.030000000000001 109.936 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -21.16 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 71.409999999999997 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' B' ' 342' ' ' SER . 5.0 mm-40 -87.43 -7.39 57.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 61.520000000000003 110.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.761 HG22 ' O ' ' B' ' 343' ' ' SER . 29.9 m -79.89 -177.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 73.120000000000005 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 64.450000000000003 109.278 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.673 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.8 t80 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.506 0.193 . . . . 71.109999999999999 110.998 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HA ' HG12 ' A' ' 17' ' ' VAL . 2.7 pt-20 -81.95 -21.5 37.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 72.439999999999998 110.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -82.96 -19.98 36.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 75.040000000000006 110.292 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -90.84 -38.18 13.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 110.294 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 13' ' ' PHE . 6.8 p -76.01 -34.99 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 72.239999999999995 109.278 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.09 -47.05 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 74.549999999999997 110.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 51.310000000000002 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.611 ' CG2' ' CD2' ' A' ' 108' ' ' PHE . 26.5 t -55.79 -24.63 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 71.230000000000004 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -58.76 -44.19 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 73.349999999999994 110.34 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.4 mt -62.6 -54.84 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 64.329999999999998 109.376 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.881 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -61.49 -26.67 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.341 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.505 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.2 mmm180 -72.54 -33.41 66.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 74.040000000000006 110.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.58 -4.93 27.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.540000000000006 110.368 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' LEU . 31.7 mt-30 -104.86 -58.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 74.230000000000004 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -117.19 80.83 12.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 109.592 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.505 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.93 -32.58 5.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 74.040000000000006 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.9 p -89.83 30.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 72.209999999999994 110.481 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -136.46 151.66 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 74.25 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.634 HG23 ' CG ' ' A' ' 99' ' ' TYR . 17.0 mm -103.65 113.59 65.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 63.340000000000003 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -74.96 139.28 24.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 60.009999999999998 110.946 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 52' ' ' PHE . 3.5 m -142.45 161.81 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 41.310000000000002 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.556 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -135.91 95.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 63.119999999999997 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.969 HD13 HD11 ' A' ' 67' ' ' ILE . 9.9 mt -95.36 131.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 64.400000000000006 109.361 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 36' ' ' GLU . 3.6 mp0 -132.62 173.78 10.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 73.349999999999994 110.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -80.43 137.48 36.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 73.239999999999995 110.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -61.65 137.16 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 54.109999999999999 110.959 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.8 mtmt -59.73 99.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.549999999999997 109.254 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.63 18.12 9.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 74.450000000000003 110.972 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -109.28 108.08 18.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 62.140000000000001 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.89 -36.0 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 64.400000000000006 109.25 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 35.4 mt-30 -38.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 65.430000000000007 110.405 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.9 mt -54.94 152.25 14.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.299 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.72 28.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.488 1.783 . . . . 72.019999999999996 110.987 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.01 121.93 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 71.25 109.235 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.578 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.19 149.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 70.209999999999994 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.578 ' H ' HD13 ' A' ' 47' ' ' LEU . 39.3 t0 -58.93 -37.92 77.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HE3' ' CB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -144.64 -177.86 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 64.030000000000001 109.322 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -113.39 -31.95 6.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 64.230000000000004 110.449 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.9 mtmp? -93.59 135.91 34.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.5 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.627 ' HB3' HD11 ' B' ' 341' ' ' LEU . 11.1 m-85 -139.99 140.21 36.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 64.540000000000006 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.623 HD21 HG12 ' A' ' 23' ' ' ILE . 19.3 mt -109.2 104.26 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 70.040000000000006 109.31 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.541 HG11 HD13 ' A' ' 95' ' ' ILE . 2.6 t -91.54 141.44 25.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 54.109999999999999 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.536 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 135.47 19.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 72.209999999999994 110.982 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 5.9 p-10 -85.86 48.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 73.209999999999994 109.362 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.838 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.97 21.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 74.420000000000002 109.598 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.838 HG13 ' ND1' ' A' ' 57' ' ' HIS . 33.5 m -137.26 -167.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 63.399999999999999 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -116.72 148.55 40.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 54.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.644 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.8 ppp? -42.83 -26.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 110.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.655 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.98 -47.61 77.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 60.520000000000003 110.033 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE2' HG11 ' A' ' 58' ' ' VAL . 7.1 mt-10 -47.27 -52.15 16.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 65.319999999999993 110.35 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 67' ' ' ILE . 3.2 tp -47.04 -32.59 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 75.349999999999994 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mm -71.23 -41.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 62.299999999999997 109.251 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 25.1 mtpp -65.0 -35.77 82.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 65.209999999999994 109.262 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.7 mm -70.9 -57.71 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.264 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.969 HD11 HD13 ' A' ' 35' ' ' ILE . 20.5 mm -46.09 -68.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 74.109999999999999 109.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 12.1 ptm180 -44.17 -42.63 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 75.109999999999999 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' CZ ' ' O ' ' B' ' 345' ' ' GLU . 9.1 mmm180 -62.12 -36.26 81.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 73.230000000000004 110.318 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -67.5 -46.09 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 71.150000000000006 110.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 73' ' ' LEU . 9.8 mt -64.4 -12.74 46.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 109.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.2 pt20 45.93 40.8 7.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 73.519999999999996 110.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.8 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.8 mt -80.19 -176.52 5.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 60.030000000000001 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -121.31 -178.55 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 74.200000000000003 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.17 62.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 44.43 109.4 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.32 -25.85 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 74.340000000000003 109.353 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.8 ' HG2' HD22 ' A' ' 73' ' ' LEU . 41.5 tp60 -91.36 129.56 37.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.299999999999997 110.228 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.57 129.44 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 75.299999999999997 109.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.639 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -135.51 134.65 39.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 75.540000000000006 111.015 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 22.4 m-85 -143.33 116.0 8.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 53.43 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 HG13 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -84.93 119.01 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 70.099999999999994 109.267 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.63 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -93.45 120.33 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.306 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.886 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.9 t -87.27 108.2 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 75.329999999999998 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.448 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 72.66 10.29 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 109.315 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.91 3.11 45.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 61.149999999999999 111.043 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 5.7 p80 -124.59 129.97 51.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 0.742 . . . . 74.019999999999996 109.595 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.571 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.8 172.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 72.540000000000006 109.972 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.96 40.93 3.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 110.971 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -39.26 -30.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 72.209999999999994 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.3 m -119.55 103.85 9.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 43.149999999999999 109.953 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.655 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -108.5 86.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 73.430000000000007 109.263 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -124.81 18.08 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 74.420000000000002 110.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.837 HG22 HG23 ' A' ' 98' ' ' VAL . 3.6 m -129.89 145.97 59.36 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 72.010000000000005 110.368 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -74.96 143.52 29.31 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.467 1.772 . . . . 74.200000000000003 111.034 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.541 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -53.21 -21.07 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 74.510000000000005 109.27 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.7 p -71.26 -35.73 71.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 73.109999999999999 110.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 48.5 mm-40 -88.44 -51.82 5.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.837 HG23 HG22 ' A' ' 93' ' ' THR . 6.0 t -47.01 -33.21 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 73.030000000000001 109.272 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.634 ' CG ' HG23 ' A' ' 31' ' ' ILE . 2.3 t80 -79.46 -37.63 36.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 73.420000000000002 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.29 -3.5 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.9 3.39 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 63.149999999999999 110.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.724 ' HB2' HD21 ' A' ' 109' ' ' LEU . 3.8 mm-40 -134.16 -51.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 75.099999999999994 110.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 5.5 ppt_? -34.74 150.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.510000000000005 110.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -96.66 -174.87 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 52.109999999999999 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 6.7 mm-40 -54.49 -38.79 66.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 74.25 110.361 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.636 ' C ' ' OD1' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -57.38 -47.59 81.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 109.318 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.68 27.6 4.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 33.439999999999998 110.956 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.643 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -120.62 133.29 55.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 73.310000000000002 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.3 mt -83.28 147.95 27.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 71.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -126.73 106.94 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 75.439999999999998 110.979 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.886 ' SD ' HG22 ' A' ' 83' ' ' VAL . 4.1 mtt -128.99 133.17 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 64.010000000000005 111.027 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -110.24 124.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 73.329999999999998 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 4.1 p90 -103.34 153.74 20.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 73.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.78 178.48 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 24.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.25 30.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 63.340000000000003 110.045 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.79 126.03 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 70.450000000000003 110.354 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 11.0 tt0 -110.05 -7.1 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 54.409999999999997 110.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.4 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 110.385 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . 0.4 ' OD2' ' OE1' ' A' ' 26' ' ' GLN . 11.2 m-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.622 . . . . 74.409999999999997 109.322 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.881 ' NE1' HD13 ' A' ' 23' ' ' ILE . 3.4 m0 -61.79 -152.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 73.140000000000001 107.971 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -100.26 146.67 26.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.25 110.391 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . 0.582 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.2 OUTLIER -100.51 123.49 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 75.310000000000002 109.602 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.856 ' HB3' HG21 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -89.89 119.85 30.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 73.230000000000004 109.376 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.479 ' O ' HG13 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -113.21 120.24 40.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 62.219999999999999 110.046 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' GLU . 3.8 t -90.1 21.68 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 53.030000000000001 109.987 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -105.43 -29.57 10.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 71.409999999999997 109.32 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . 0.412 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.3 mt-10 -93.55 -2.24 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.520000000000003 110.249 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.697 ' CG1' HD13 ' A' ' 66' ' ' ILE . 22.3 m -77.06 -171.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 73.120000000000005 109.264 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 64.450000000000003 109.278 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.058 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.429 0.157 . . . . 71.109999999999999 111.009 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' VAL . 4.4 mt-10 -52.42 -20.11 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 72.439999999999998 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.25 -30.47 25.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 75.040000000000006 110.246 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -90.75 -19.02 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 73.109999999999999 110.342 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.058 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.2 m -81.56 -43.1 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.239999999999995 109.328 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.54 -22.79 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.549999999999997 110.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.19 -57.73 6.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 51.310000000000002 109.301 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.919 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -49.83 -44.16 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 71.230000000000004 109.306 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 40.8 ttt180 -38.43 -38.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 73.349999999999994 110.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.44 -59.43 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 64.329999999999998 109.246 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.778 HD13 ' CE2' ' B' ' 338' ' ' TRP . 0.9 OUTLIER -54.08 -23.48 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 109.236 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -71.3 -32.91 69.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -100.91 -5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.540000000000006 110.336 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -107.25 -60.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 110.345 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.449 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 56.6 m-70 -119.59 78.23 20.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.6 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.44 11.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.514 1.797 . . . . 74.040000000000006 111.043 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -89.17 21.09 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 72.209999999999994 110.409 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 18.9 mmtt -132.7 156.9 46.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 74.25 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.612 ' O ' HG12 ' A' ' 54' ' ' VAL . 16.3 mm -107.33 121.8 43.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 63.340000000000003 109.283 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.93 141.92 27.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 60.009999999999998 111.022 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.68 162.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 41.310000000000002 109.257 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.4 mm -136.39 96.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 63.119999999999997 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.93 HD13 HD11 ' A' ' 67' ' ' ILE . 11.4 mt -94.85 121.91 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 64.400000000000006 109.321 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' CD ' HG21 ' A' ' 50' ' ' THR . 6.5 mm-40 -127.63 174.85 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 73.349999999999994 110.314 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -85.02 131.7 34.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 2.1 t80 -53.79 136.55 39.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 54.109999999999999 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -58.04 103.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 73.549999999999997 109.271 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.07 20.19 14.71 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 111.007 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.6 tm-20 -112.52 109.88 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 62.140000000000001 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -21.94 11.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 64.400000000000006 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 65.430000000000007 110.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.644 HD12 ' HD1' ' A' ' 113' ' ' TYR . 13.6 mt -54.76 148.44 26.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 74.319999999999993 109.252 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.46 8.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 72.019999999999996 111.011 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.44 107.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 71.25 109.356 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.071 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.3 145.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 70.209999999999994 109.316 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.576 ' H ' HD13 ' A' ' 47' ' ' LEU . 55.2 m-20 -44.37 -38.07 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.265 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -161.53 -169.75 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 64.030000000000001 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.5 HG21 ' CD ' ' A' ' 36' ' ' GLU . 3.2 m -115.2 -32.71 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 64.230000000000004 110.435 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.564 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 15.5 mtmm -92.46 129.91 38.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 74.5 109.34 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.65 ' HB3' HD11 ' B' ' 341' ' ' LEU . 45.6 m-85 -140.87 136.31 32.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 64.540000000000006 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.538 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 6.0 mt -100.14 103.09 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 70.040000000000006 109.269 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.747 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.8 p -93.82 143.75 27.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 54.109999999999999 109.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.747 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.02 127.05 10.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 72.209999999999994 111.008 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.05 53.23 2.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 73.209999999999994 109.306 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.7 p-80 -154.61 28.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.54 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.19 -163.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 63.399999999999999 109.299 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.63 148.49 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 54.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.611 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.2 ppp? -47.11 -23.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 72.030000000000001 111.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.673 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -53.52 57.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 60.520000000000003 109.978 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' LYS . 15.7 mm-40 -42.3 -51.75 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 65.319999999999993 110.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 95' ' ' ILE . 1.4 tt -44.34 -46.03 9.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 75.349999999999994 109.237 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 64' ' ' ILE . 6.1 mm -58.92 -40.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 62.299999999999997 109.256 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 16.9 mtpp -69.74 -23.95 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 65.209999999999994 109.297 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.962 HG21 ' HB3' ' B' ' 341' ' ' LEU . 15.8 mm -82.77 -34.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 63.229999999999997 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.93 HD11 HD13 ' A' ' 35' ' ' ILE . 9.4 mm -72.0 -69.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.109999999999999 109.354 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 5.6 ptm180 -45.43 -34.43 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 110.262 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 1.4 mpt_? -62.13 -39.68 93.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 73.230000000000004 110.272 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.9 mtt-85 -69.57 -51.25 37.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 71.150000000000006 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.071 HD21 HD22 ' A' ' 47' ' ' LEU . 26.5 mt -61.3 -19.76 62.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 72.230000000000004 109.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 39.74 43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 110.342 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.866 HD22 ' HG2' ' A' ' 77' ' ' GLN . 2.4 mt -75.19 169.04 18.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 60.030000000000001 109.282 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -109.43 176.62 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 74.200000000000003 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.52 -40.36 71.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 44.43 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -56.0 -39.41 71.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 74.340000000000003 109.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.866 ' HG2' HD22 ' A' ' 73' ' ' LEU . 37.3 tp60 -92.46 125.5 37.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 75.299999999999997 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.452 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -103.27 136.08 43.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 75.299999999999997 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -129.29 134.77 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 75.540000000000006 111.032 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 117' ' ' GLU . 12.9 m-85 -143.48 117.46 9.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.471 1.107 . . . . 53.43 110.986 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -85.64 114.18 22.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 70.099999999999994 109.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -89.04 116.76 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 74.120000000000005 109.344 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.689 HG11 ' OE1' ' A' ' 102' ' ' GLU . 55.0 t -81.72 113.67 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 75.329999999999998 109.312 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 62.83 20.59 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 73.329999999999998 109.289 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.82 6.85 61.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 61.149999999999999 111.021 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 22.8 p80 -128.14 127.61 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 74.019999999999996 109.633 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.485 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 15.4 p -57.65 172.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 72.540000000000006 109.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -119.84 42.86 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 73.310000000000002 110.985 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.1 p -39.2 -30.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 72.209999999999994 109.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.7 t -118.85 105.09 11.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 43.149999999999999 110.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.673 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -109.91 87.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.286 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -126.84 19.81 7.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.420000000000002 110.065 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.583 HG23 ' HD2' ' A' ' 94' ' ' PRO . 21.5 m -130.11 144.82 54.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.010000000000005 110.394 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.06 138.16 22.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 74.200000000000003 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.838 HD11 HD12 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -46.47 -32.16 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 74.510000000000005 109.347 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.3 p -57.2 -43.02 82.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 73.109999999999999 109.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLU . 47.8 mt-10 -83.07 -54.66 4.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 74.430000000000007 110.274 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.578 HG23 HG22 ' A' ' 93' ' ' THR . 5.2 t -41.6 -32.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 73.030000000000001 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.585 ' CD2' HG23 ' A' ' 31' ' ' ILE . 1.9 t80 -79.09 -46.5 17.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 73.420000000000002 110.989 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' GLU . 7.0 pt-20 -71.62 -4.73 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.239999999999995 110.313 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -111.35 -7.49 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 63.149999999999999 109.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 109' ' ' LEU . 93.4 mt-10 -123.85 -58.35 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 75.099999999999994 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.78 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 110.336 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.07 -176.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 52.109999999999999 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ASP . 36.5 mm-40 -44.99 -50.44 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.25 110.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.686 ' CB ' HG12 ' A' ' 17' ' ' VAL . 11.5 p-10 -39.33 -51.47 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.310000000000002 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.919 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 101.45 31.18 5.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 33.439999999999998 110.992 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -132.97 129.86 38.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 73.310000000000002 110.97 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.5 mt -78.44 139.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 71.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.468 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 87.0 m-85 -119.06 107.4 13.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 75.439999999999998 111.066 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.62 ' SD ' HG22 ' A' ' 83' ' ' VAL . 6.1 mtt -128.59 139.16 52.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 64.010000000000005 111.031 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.7 t -114.66 121.99 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 73.329999999999998 109.29 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.644 ' HD1' HD12 ' A' ' 44' ' ' LEU . 10.2 p90 -100.4 151.72 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -170.77 179.2 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 24.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.8 t -88.33 24.06 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 63.340000000000003 109.962 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.5 pt20 -144.48 124.78 13.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -107.03 -13.61 15.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 54.409999999999997 110.296 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 61.450000000000003 110.372 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.301 -0.629 . . . . 74.409999999999997 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.784 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 29.7 m0 -54.14 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.036 -1.098 . . . . 73.140000000000001 108.036 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.732 HG23 ' N ' ' B' ' 340' ' ' HIS . 0.6 OUTLIER -157.81 -169.53 2.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 1.103 . . . . 75.25 110.339 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . 0.732 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.86 117.82 12.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 75.310000000000002 109.597 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.962 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -93.67 84.38 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.486 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -84.77 136.42 33.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 62.219999999999999 110.056 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.503 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.5 OUTLIER -91.34 8.72 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 53.030000000000001 110.043 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -33.19 10.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.409999999999997 109.303 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.1 -11.79 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 61.520000000000003 110.279 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.708 ' CG1' HD13 ' A' ' 66' ' ' ILE . 32.2 m -61.18 -170.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 73.120000000000005 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 64.450000000000003 109.286 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.7 t80 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.588 0.232 . . . . 71.109999999999999 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -47.01 -42.28 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 72.439999999999998 110.323 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -69.1 -42.72 75.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.529 HH22 HG21 ' A' ' 34' ' ' ILE . 13.8 mtp180 -63.13 -27.01 69.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 73.109999999999999 110.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.72 HG22 ' HA ' ' A' ' 106' ' ' ASP . 89.8 t -84.98 -39.37 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 72.239999999999995 109.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 74.549999999999997 110.303 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -55.15 -30.51 59.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 51.310000000000002 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 108' ' ' PHE . 9.8 t -76.89 -28.73 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 71.230000000000004 109.338 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.95 -37.39 84.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 73.349999999999994 110.31 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -75.16 -57.04 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 64.329999999999998 109.334 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.767 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.2 tp -52.76 -27.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 73.030000000000001 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 6.6 mmm180 -72.33 -32.89 66.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 74.040000000000006 110.259 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.81 -4.51 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 75.540000000000006 110.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 34.0 mt-30 -112.06 -17.81 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.230000000000004 110.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.805 ' CG ' HD13 ' A' ' 53' ' ' LEU . 88.2 m-70 -160.6 68.37 2.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 74.540000000000006 109.535 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.2 Cg_endo -75.07 -26.38 10.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 74.040000000000006 110.967 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.1 p -86.52 12.15 11.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 72.209999999999994 110.503 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 5.3 mmtp -126.03 164.37 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 74.25 109.343 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.823 HG23 ' CD2' ' A' ' 99' ' ' TYR . 34.2 mm -110.62 115.23 54.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 63.340000000000003 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.677 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 138.45 23.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 60.009999999999998 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.84 159.2 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 41.310000000000002 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.602 HG23 HG22 ' A' ' 50' ' ' THR . 2.4 mm -132.91 95.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 63.119999999999997 109.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 50' ' ' THR . 8.0 mt -86.93 133.59 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 64.400000000000006 109.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -134.21 158.73 42.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 73.349999999999994 110.345 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -69.21 137.47 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 73.239999999999995 110.36 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.9 t80 -63.45 148.68 47.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 54.109999999999999 111.038 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 9.6 ptpt -62.38 96.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 73.549999999999997 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.2 24.53 7.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 74.450000000000003 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -84.9 116.05 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 62.140000000000001 110.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.91 -39.65 3.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 64.400000000000006 109.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.402 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 45.4 mm-40 -52.18 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 65.430000000000007 110.314 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.746 HD11 ' HA ' ' A' ' 79' ' ' PHE . 12.3 mt -54.62 139.54 59.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.95 165.54 31.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 72.019999999999996 110.968 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' LEU . 46.9 t -71.26 114.54 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 71.25 109.31 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.915 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -39.88 145.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 70.209999999999994 109.33 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.497 ' H ' HD13 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -57.39 -43.89 84.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 65.120000000000005 109.359 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 177.23 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 64.030000000000001 109.372 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.602 HG22 HG23 ' A' ' 34' ' ' ILE . 37.9 m -113.53 -18.94 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 64.230000000000004 110.396 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.546 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 11.9 mtmm -105.94 133.33 50.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 74.5 109.298 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' HA ' HG22 ' B' ' 339' ' ' THR . 5.8 m-85 -140.04 138.05 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 64.540000000000006 111.002 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.805 HD13 ' CG ' ' A' ' 27' ' ' HIS . 20.0 mt -106.14 103.16 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 70.040000000000006 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.2 p -95.48 143.85 26.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 54.109999999999999 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.97 130.32 13.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 72.209999999999994 110.942 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -79.55 53.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 73.209999999999994 109.249 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.76 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -154.13 22.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 109.634 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.76 HG13 ' ND1' ' A' ' 57' ' ' HIS . 27.5 m -137.39 -168.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 63.399999999999999 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -109.23 161.35 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 54.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.75 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.7 ppp? -58.17 -29.78 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 72.030000000000001 111.081 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.943 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.3 t -66.3 -42.51 88.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 60.520000000000003 110.032 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' B' ' 343' ' ' SER . 4.3 mt-10 -53.14 -32.61 48.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 65.319999999999993 110.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 95' ' ' ILE . 1.5 tp -64.95 -29.86 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 75.349999999999994 109.319 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.982 HG23 ' CE2' ' A' ' 79' ' ' PHE . 7.4 mt -74.36 -48.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 62.299999999999997 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 22.3 mtmt -50.59 -25.6 4.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 65.209999999999994 109.314 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' B' ' 346' ' ' VAL . 44.3 mt -90.11 -55.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 63.229999999999997 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.741 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 6.9 mm -42.11 -46.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 74.109999999999999 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 65' ' ' LYS . 28.8 ptt180 -60.49 -43.02 97.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.39 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' ILE . 5.8 mmm180 -59.24 -25.76 64.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 73.230000000000004 110.258 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -43.72 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 71.150000000000006 110.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.915 HD21 HD22 ' A' ' 47' ' ' LEU . 93.5 mt -67.04 -10.98 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 13.1 pt20 45.84 46.24 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.328 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.747 HD13 ' OE1' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -85.3 -172.4 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 60.030000000000001 109.384 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -116.85 -174.94 2.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 74.200000000000003 109.357 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.08 71.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.097 . . . . 44.43 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -68.62 -39.74 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 109.309 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.747 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 tm0? -60.65 143.66 53.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 75.299999999999997 110.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.563 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -120.45 131.69 54.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 109.298 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.982 ' CE2' HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -131.53 119.82 22.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.566 1.167 . . . . 75.540000000000006 111.044 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -118.27 113.98 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 53.43 110.979 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -90.19 109.44 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.099999999999994 109.284 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.664 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -87.97 114.46 24.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.328 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.619 HG12 ' CE1' ' A' ' 86' ' ' HIS . 2.5 t -83.33 109.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.212 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.3 m-20 71.24 6.1 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.67 3.36 30.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 61.149999999999999 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.619 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.7 p80 -123.43 129.89 51.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 74.019999999999996 109.583 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.553 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -57.51 172.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 72.540000000000006 110.032 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.652 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -118.15 38.32 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.996 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.6 p -60.91 -13.91 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 72.209999999999994 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' SER . 77.8 p -117.13 28.91 8.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 43.149999999999999 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.75 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.4 OUTLIER -46.31 95.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 73.430000000000007 109.348 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.1 m -133.09 22.78 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.420000000000002 110.031 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.574 HG23 ' HD2' ' A' ' 94' ' ' PRO . 22.4 m -141.85 144.27 31.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 72.010000000000005 110.353 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.574 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.98 142.26 27.7 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.436 1.756 . . . . 74.200000000000003 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -46.08 -30.63 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.329 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.8 p -58.32 -45.23 88.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 73.109999999999999 109.988 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 20.0 mt-10 -81.62 -49.05 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 110.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 3.4 t -48.39 -25.83 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 73.030000000000001 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.823 ' CD2' HG23 ' A' ' 31' ' ' ILE . 8.6 t80 -80.18 -50.79 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.420000000000002 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -77.34 -3.61 40.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 110.287 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 m -110.59 3.62 19.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 63.149999999999999 110.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 6.6 mm-40 -137.38 -54.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 75.099999999999994 110.32 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 2.2 ppt_? -34.67 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 73.510000000000005 110.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.5 -175.14 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 52.109999999999999 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -46.69 -39.12 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 74.25 110.319 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.72 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -51.38 -50.44 59.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 72.310000000000002 109.284 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.03 17.33 20.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 33.439999999999998 111.035 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.764 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -119.02 135.14 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 73.310000000000002 110.99 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.752 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.55 140.31 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 71.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.14 108.71 11.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 75.439999999999998 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.71 136.42 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 64.010000000000005 111.02 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -107.43 130.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.569 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.7 p90 -105.13 160.96 14.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.08 168.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 24.0 109.356 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 t -89.2 21.65 3.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 63.340000000000003 110.083 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -145.79 119.15 8.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 70.450000000000003 110.278 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 7.3 tt0 -106.34 -7.17 17.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 54.409999999999997 110.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 61.450000000000003 110.413 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . 0.589 ' CG ' ' HE2' ' A' ' 27' ' ' HIS . 7.9 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.318 -0.623 . . . . 74.409999999999997 109.318 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.767 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.1 m0 -87.28 -153.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.978 -1.119 . . . . 73.140000000000001 107.978 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -95.02 159.45 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 75.25 110.389 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.28 128.86 55.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 75.310000000000002 109.653 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.22 123.04 42.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 109.335 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.13 139.07 51.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 62.219999999999999 110.016 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.467 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -99.07 23.93 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 53.030000000000001 110.012 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -112.06 -32.0 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 71.409999999999997 109.326 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.3 -10.75 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 61.520000000000003 110.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 66' ' ' ILE . 17.6 m -65.28 175.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 64.450000000000003 109.323 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.2 t80 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.561 0.219 . . . . 71.109999999999999 110.997 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -67.01 -60.55 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 72.439999999999998 110.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.36 -19.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.040000000000006 110.281 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.793 HH21 ' HB2' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -85.52 -47.74 9.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 73.109999999999999 110.338 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.995 HG22 ' HA ' ' A' ' 106' ' ' ASP . 74.7 t -52.32 -38.47 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 72.239999999999995 109.306 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 30.0 tt0 -67.35 -45.93 74.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.549999999999997 110.247 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.56 -39.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 51.310000000000002 109.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -71.66 -46.7 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.399 1.062 . . . . 71.230000000000004 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 9.6 ttt85 -42.64 -27.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 73.349999999999994 110.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -70.63 -55.01 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 64.329999999999998 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.812 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -64.67 -18.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 73.030000000000001 109.27 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -78.33 -32.87 49.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.040000000000006 110.33 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.01 -9.72 23.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 75.540000000000006 110.281 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 110.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ILE . 65.7 m-70 -126.76 73.02 75.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.540000000000006 109.572 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.65 12.69 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 74.040000000000006 111.016 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -84.96 10.95 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 110.394 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.2 mmtt -125.31 159.54 31.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 74.25 109.325 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.681 HG23 ' CD2' ' A' ' 99' ' ' TYR . 18.4 mm -110.14 122.94 37.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 63.340000000000003 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.07 138.99 23.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 60.009999999999998 110.971 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.69 161.92 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.188 . . . . 41.310000000000002 109.211 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.711 HG23 HG22 ' A' ' 50' ' ' THR . 3.1 mm -139.71 95.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 63.119999999999997 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 1.09 HD13 HD11 ' A' ' 67' ' ' ILE . 6.5 mt -88.11 132.8 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 64.400000000000006 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -134.1 170.79 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.349999999999994 110.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.82 138.21 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 73.239999999999995 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.86 138.33 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 54.109999999999999 111.035 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 18.3 mtmm -57.28 95.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 73.549999999999997 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.76 20.31 7.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 74.450000000000003 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 9.2 tp10 -111.31 105.11 13.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 62.140000000000001 110.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -30.06 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 64.400000000000006 109.276 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -41.53 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 65.430000000000007 110.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 115' ' ' SER . 5.3 mt -54.84 150.47 18.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.244 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.98 167.55 26.81 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.428 1.751 . . . . 72.019999999999996 111.043 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.2 t -83.97 121.0 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 71.25 109.307 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.675 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.25 147.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 70.209999999999994 109.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.675 ' H ' HD13 ' A' ' 47' ' ' LEU . 31.6 t0 -50.19 -45.9 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 65.120000000000005 109.361 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.01 -174.13 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.607 1.192 . . . . 64.030000000000001 109.29 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.711 HG22 HG23 ' A' ' 34' ' ' ILE . 41.1 m -115.1 -32.96 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.619 1.199 . . . . 64.230000000000004 110.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 3.0 mtmm -91.83 132.41 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 74.5 109.286 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.733 ' HB3' HD11 ' B' ' 341' ' ' LEU . 46.3 m-85 -140.23 136.38 33.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 64.540000000000006 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.51 HD21 ' CE3' ' B' ' 338' ' ' TRP . 9.3 mt -103.17 102.99 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 70.040000000000006 109.306 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.743 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.9 p -94.21 143.79 26.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 54.109999999999999 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.86 126.04 9.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.472 1.775 . . . . 72.209999999999994 111.038 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -82.17 51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 73.209999999999994 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 7.2 p-80 -148.0 19.81 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 74.420000000000002 109.616 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.5 -161.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 63.399999999999999 109.262 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -116.57 149.91 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 54.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.469 ' C ' ' SD ' ' A' ' 60' ' ' MET . 1.1 ppp? -47.29 -26.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 72.030000000000001 110.999 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -55.53 -41.61 73.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 60.520000000000003 110.06 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' LEU . 9.2 mm-40 -56.16 -55.67 30.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 65.319999999999993 110.299 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.944 HD12 HD11 ' A' ' 95' ' ' ILE . 1.9 tt -38.43 -41.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 75.349999999999994 109.336 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 14.7 mm -58.25 -59.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 62.299999999999997 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 44.0 mtpt -52.3 -21.65 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 65.209999999999994 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.946 HG21 ' HB3' ' B' ' 341' ' ' LEU . 12.2 mm -82.49 -35.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 1.09 HD11 HD13 ' A' ' 35' ' ' ILE . 16.9 mm -68.76 -69.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.109999999999999 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -40.62 -28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 75.109999999999999 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmt180 -67.06 -45.56 77.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.230000000000004 110.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' ILE . 12.9 mmm180 -60.33 -50.35 73.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 71.150000000000006 110.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 3.5 mt -62.0 -24.11 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 72.230000000000004 109.262 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.8 pt20 46.18 41.7 9.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 73.519999999999996 110.269 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.591 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -73.69 -166.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 60.030000000000001 109.34 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.38 -175.12 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 74.200000000000003 109.308 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.44 -15.18 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 44.43 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -83.58 -20.14 34.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 74.340000000000003 109.256 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 73' ' ' LEU . 48.0 tp60 -91.35 134.98 34.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.299999999999997 110.341 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.74 129.5 49.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 75.299999999999997 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.681 ' CE1' HG21 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -130.77 135.2 47.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.540000000000006 110.946 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.531 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.52 125.95 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 53.43 110.995 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.498 HD22 HG13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -92.64 120.59 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 70.099999999999994 109.318 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 81' ' ' LEU . 3.2 mm? -96.69 106.09 18.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 109.395 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.656 HG12 ' CE1' ' A' ' 86' ' ' HIS . 9.4 t -73.75 107.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 75.329999999999998 109.26 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 68.92 8.88 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 109.25 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.32 6.22 36.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 61.149999999999999 111.01 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.656 ' CE1' HG12 ' A' ' 83' ' ' VAL . 20.7 p80 -126.01 139.15 53.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 74.019999999999996 109.645 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 p -57.55 167.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 72.540000000000006 110.005 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -123.94 18.18 9.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 111.013 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.455 ' CG1' ' OE1' ' A' ' 117' ' ' GLU . 3.1 m -47.24 -25.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 72.209999999999994 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' VAL . 91.7 p -102.81 39.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 43.149999999999999 109.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.645 HG22 ' N ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -39.3 -83.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.353 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.645 ' N ' HG22 ' A' ' 91' ' ' VAL . 2.0 t 38.41 29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.420000000000002 110.028 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' VAL . 53.6 m -152.33 139.91 12.97 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 72.010000000000005 110.444 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 18.5 Cg_endo -74.96 137.01 21.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 74.200000000000003 111.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.944 HD11 HD12 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -44.53 -32.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 74.510000000000005 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.0 p -57.64 -44.96 85.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 73.109999999999999 110.041 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' PRO . 37.4 mt-10 -77.33 -50.69 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 110.266 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.19 -35.32 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.030000000000001 109.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.769 ' CD2' HD23 ' A' ' 109' ' ' LEU . 2.1 t80 -78.72 -38.81 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 111.011 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.239999999999995 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -118.44 5.5 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.149999999999999 110.024 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 103' ' ' ARG . 32.5 mm-40 -133.46 -52.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.099999999999994 110.326 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -34.59 146.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 73.510000000000005 110.303 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 -175.04 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 52.109999999999999 109.255 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -46.89 -43.87 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 74.25 110.221 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.995 ' HA ' HG22 ' A' ' 17' ' ' VAL . 17.9 p-10 -54.54 -47.06 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 72.310000000000002 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.53 9.33 29.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 33.439999999999998 111.019 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.661 ' CD2' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -99.87 145.57 27.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 0.825 . . . . 73.310000000000002 111.02 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.769 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -95.42 134.1 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 71.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -114.16 112.32 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.439999999999998 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.535 ' HE2' ' HB3' ' A' ' 109' ' ' LEU . 3.1 mtt -133.33 131.18 39.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 64.010000000000005 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.3 t -103.32 128.94 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 73.329999999999998 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -108.8 150.72 27.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 73.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -170.74 178.14 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.378 1.049 . . . . 24.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.526 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.9 t -90.92 32.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 63.340000000000003 110.02 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -149.58 132.52 16.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 70.450000000000003 110.312 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.531 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 4.6 tt0 -119.18 -6.64 10.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 54.409999999999997 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 61.450000000000003 110.406 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.349 -0.612 . . . . 74.409999999999997 109.349 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.812 ' NE1' HD13 ' A' ' 23' ' ' ILE . 3.2 m0 -74.23 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 73.140000000000001 108.05 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.499 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -93.62 162.89 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 75.25 110.45 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . 0.448 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -112.01 129.78 56.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 75.310000000000002 109.614 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.946 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.9 mt -102.81 109.1 20.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 73.230000000000004 109.318 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -111.16 132.17 54.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 62.219999999999999 109.986 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.485 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.2 t -92.87 15.58 14.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 53.030000000000001 110.019 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.469 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -101.44 -26.45 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 71.409999999999997 109.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.96 -1.36 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 61.520000000000003 110.264 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.708 ' CG1' HD13 ' A' ' 66' ' ' ILE . 17.8 m -71.01 -175.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 109.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 64.450000000000003 109.365 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.048 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.492 0.187 . . . . 71.109999999999999 111.048 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' VAL . 89.8 mt-10 -52.18 -20.15 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 110.249 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -84.9 -30.34 24.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 75.040000000000006 110.269 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.4 mmt-85 -90.68 -18.33 25.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 110.323 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.048 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.3 m -82.26 -39.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 72.239999999999995 109.319 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -64.31 -24.4 67.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 74.549999999999997 110.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -64.27 -61.38 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 51.310000000000002 109.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -50.54 -44.88 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 71.230000000000004 109.276 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 42.1 ttt180 -43.36 -33.7 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 73.349999999999994 110.255 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 22' ' ' LEU . 2.3 mt -64.69 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 64.329999999999998 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.881 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -56.32 -22.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.578 1.173 . . . . 73.030000000000001 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -29.37 63.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 74.040000000000006 110.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -100.66 -18.66 16.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 75.540000000000006 110.184 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -98.3 -54.92 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 74.230000000000004 110.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' CG ' HD13 ' A' ' 53' ' ' LEU . 11.8 m-70 -117.37 79.94 12.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.540000000000006 109.61 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.5 7.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 74.040000000000006 110.992 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.4 p -89.74 28.59 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.209999999999994 110.443 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -136.35 151.83 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.25 109.266 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.558 HG13 HG23 ' A' ' 95' ' ' ILE . 46.2 mm -99.24 111.9 62.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 63.340000000000003 109.338 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 133.96 17.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 60.009999999999998 111.025 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 1.1 m -141.48 156.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 41.310000000000002 109.295 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -132.6 99.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 63.119999999999997 109.352 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.997 HD11 HD11 ' A' ' 63' ' ' LEU . 13.5 mt -92.82 128.5 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.633 ' OE1' HG23 ' A' ' 50' ' ' THR . 15.9 mm-40 -126.19 171.57 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 110.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -80.53 136.33 36.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 110.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.495 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 12.2 t80 -65.3 145.06 56.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 54.109999999999999 110.964 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 mtmp? -69.25 96.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.549999999999997 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.92 7.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.57 1.169 . . . . 74.450000000000003 110.994 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.9 tm-20 -109.33 106.51 16.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 62.140000000000001 110.303 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -35.77 4.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 64.400000000000006 109.309 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -39.05 -73.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 65.430000000000007 110.368 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 115' ' ' SER . 2.7 mt -60.08 149.48 74.39 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.52 1.137 . . . . 74.319999999999993 109.25 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.95 167.29 27.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 72.019999999999996 111.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.94 136.62 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 71.25 109.266 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -61.91 152.33 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 70.209999999999994 109.242 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 1.1 t0 -67.51 -37.39 82.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 65.120000000000005 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -127.43 -170.03 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 64.030000000000001 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.633 HG23 ' OE1' ' A' ' 36' ' ' GLU . 73.4 m -122.49 -38.79 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 64.230000000000004 110.345 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.583 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -106.34 150.12 26.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.5 109.22 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.768 ' HA ' HG22 ' B' ' 339' ' ' THR . 10.8 m-85 -140.0 145.41 37.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.1 . . . . 64.540000000000006 110.948 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.881 HD21 HG12 ' A' ' 23' ' ' ILE . 31.0 mt -102.81 104.23 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 70.040000000000006 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.907 HG11 HD13 ' A' ' 95' ' ' ILE . 2.2 t -90.77 142.32 27.63 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 54.109999999999999 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.617 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -74.97 127.11 10.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 72.209999999999994 110.99 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 12.5 p-10 -75.83 59.32 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.209999999999994 109.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' ND1' HG13 ' A' ' 58' ' ' VAL . 10.4 p80 -165.36 30.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 74.420000000000002 109.58 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.433 HG13 ' ND1' ' A' ' 57' ' ' HIS . 18.0 m -147.35 -162.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 63.399999999999999 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -114.09 164.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 54.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.759 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.1 ppp? -57.98 -29.12 64.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 111.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.914 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 60.520000000000003 110.047 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 46.9 mm-40 -43.09 -54.42 4.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 65.319999999999993 110.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.997 HD11 HD11 ' A' ' 35' ' ' ILE . 4.3 tp -39.94 -43.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.41 1.069 . . . . 75.349999999999994 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 61' ' ' SER . 3.6 mt -68.34 -46.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 62.299999999999997 109.322 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLU . 27.1 mtpp -51.76 -24.62 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 65.209999999999994 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.758 HG21 HD22 ' B' ' 341' ' ' LEU . 1.8 mm -89.51 -39.85 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 63.229999999999997 109.262 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.948 HD11 HD13 ' A' ' 35' ' ' ILE . 16.7 mm -58.89 -66.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.109999999999999 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HE ' HG22 ' A' ' 64' ' ' ILE . 14.9 ptp180 -47.53 -28.22 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 110.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -36.35 67.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 110.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.466 ' NE ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -71.5 -42.41 68.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 71.150000000000006 110.333 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 64.6 mt -73.35 -5.18 38.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 72.230000000000004 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 23.8 pt20 45.64 41.04 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.519999999999996 110.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 77' ' ' GLN . 28.1 mt -71.89 172.85 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 60.030000000000001 109.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -122.1 -176.07 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.200000000000003 109.294 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.53 -12.64 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 44.43 109.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' A' ' 76' ' ' ASN . 1.1 p-10 -86.74 -27.69 23.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.906 ' HG2' HD22 ' A' ' 73' ' ' LEU . 52.4 tp60 -87.63 142.32 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 75.299999999999997 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.482 ' O ' HD21 ' A' ' 44' ' ' LEU . . . -110.3 146.87 34.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 75.299999999999997 109.312 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -156.88 145.01 19.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 110.996 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 63.9 m-85 -143.31 122.7 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 53.43 111.032 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 109.53 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 70.099999999999994 109.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 87' ' ' SER . 3.5 mm? -88.48 108.14 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.120000000000005 109.29 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.855 HG22 ' SD ' ' A' ' 111' ' ' MET . 12.1 t -77.93 111.08 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 75.329999999999998 109.265 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 66.96 10.65 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.329999999999998 109.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.63 40.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 61.149999999999999 111.035 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.659 ' CE1' HG12 ' A' ' 83' ' ' VAL . 8.7 p80 -129.05 137.42 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 74.019999999999996 109.543 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.678 ' HB2' HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -57.96 170.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 72.540000000000006 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.411 ' HB3' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -115.69 20.71 14.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.962 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 87' ' ' SER . 3.6 m -42.2 128.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 72.209999999999994 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' SER . 8.0 m 73.36 38.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 43.149999999999999 110.022 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.562 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.51 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.266 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.6 m -120.31 11.86 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 109.977 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.732 HG22 HG23 ' A' ' 98' ' ' VAL . 86.8 m -127.85 128.62 23.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.010000000000005 110.397 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 18.2 Cg_endo -75.06 143.82 29.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 74.200000000000003 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.907 HD13 HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -45.0 -27.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.323 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.9 t -63.75 -44.87 92.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 109.973 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 30.0 mm-40 -82.52 -49.91 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.430000000000007 110.328 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.732 HG23 HG22 ' A' ' 93' ' ' THR . 24.2 t -48.29 -25.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.030000000000001 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.633 ' HA ' HD21 ' A' ' 109' ' ' LEU . 46.9 t80 -79.6 -49.84 11.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 73.420000000000002 111.009 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -78.93 -3.31 44.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.07 . . . . 74.239999999999995 110.306 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.9 m -112.79 4.82 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 63.149999999999999 110.035 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 7.5 mm-40 -138.07 -52.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 75.099999999999994 110.365 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 7.4 ppt_? -34.77 151.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 73.510000000000005 110.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER -116.91 -174.51 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 52.109999999999999 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' ASP . 22.5 mt-10 -37.0 -56.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 74.25 110.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.995 ' HB3' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -44.92 -48.64 11.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 72.310000000000002 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 103.2 -0.32 47.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 33.439999999999998 111.035 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.777 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -96.84 135.38 38.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 0.8 . . . . 73.310000000000002 110.92 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.33 136.1 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.0 109.222 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -121.29 113.99 20.71 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.986 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.855 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.6 mtt -136.65 142.45 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 64.010000000000005 111.008 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 7.1 t -110.44 141.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 73.329999999999998 109.357 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.438 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 4.5 p90 -118.98 152.71 35.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -173.0 178.34 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 24.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.68 30.5 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 63.340000000000003 109.919 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -150.01 130.23 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 70.450000000000003 110.292 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 3.1 tt0 -111.94 -12.14 13.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 54.409999999999997 110.261 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 117' ' ' GLU . 34.9 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 61.450000000000003 110.414 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.245 -0.65 . . . . 74.409999999999997 109.245 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.849 ' CE2' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -94.92 -154.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 108.009 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.768 HG22 ' HA ' ' A' ' 52' ' ' PHE . 14.6 t -89.86 147.17 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 75.25 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.5 114.99 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.310000000000002 109.548 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 0.758 HD22 HG21 ' A' ' 66' ' ' ILE . 6.4 mt -78.17 112.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 73.230000000000004 109.354 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 343' ' ' SER . 0.8 OUTLIER -70.48 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 62.219999999999999 109.994 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.699 ' O ' HG22 ' B' ' 346' ' ' VAL . 1.1 m 86.82 -9.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 53.030000000000001 109.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -28.04 15.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 71.409999999999997 109.325 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.53 -6.77 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 61.520000000000003 110.321 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.699 HG22 ' O ' ' B' ' 343' ' ' SER . 22.8 m -64.94 175.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 73.120000000000005 109.25 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 64.450000000000003 109.304 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.1 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.494 0.187 . . . . 71.109999999999999 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -38.87 1.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 110.328 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -74.99 -40.54 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 110.298 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' PHE . 26.5 mtp85 -64.85 -27.02 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 73.109999999999999 110.362 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.879 HG22 ' HA ' ' A' ' 106' ' ' ASP . 90.1 t -76.53 -32.88 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.239999999999995 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.63 -35.74 45.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 110.272 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 51.310000000000002 109.235 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -56.76 -40.89 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 71.230000000000004 109.305 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -40.23 -35.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 73.349999999999994 110.243 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -50.78 63.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 64.329999999999998 109.32 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.854 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -65.6 -24.18 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 73.030000000000001 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -32.77 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.040000000000006 110.281 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.53 -19.56 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 75.540000000000006 110.235 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -90.94 -58.8 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 74.230000000000004 110.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -119.91 79.1 24.34 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 74.540000000000006 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.23 6.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 74.040000000000006 110.98 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.99 30.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.209999999999994 110.347 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 8.6 mmtp -136.03 149.77 48.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 74.25 109.354 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 20.4 mm -98.34 112.76 62.99 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 63.340000000000003 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.04 139.19 23.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 60.009999999999998 110.993 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG22 ' HB2' ' A' ' 52' ' ' PHE . 2.7 m -146.29 161.49 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 41.310000000000002 109.331 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.455 ' CG2' ' OE1' ' A' ' 36' ' ' GLU . 2.8 mm -129.79 101.81 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 63.119999999999997 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.572 HG22 ' HD2' ' A' ' 113' ' ' TYR . 2.5 mm -86.27 118.95 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 64.400000000000006 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' OE1' ' CG2' ' A' ' 34' ' ' ILE . 34.4 mt-10 -125.76 154.66 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.349999999999994 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -71.68 137.94 48.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 73.239999999999995 110.366 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.791 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.2 t80 -62.37 145.18 54.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 54.109999999999999 110.984 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -59.19 98.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.549999999999997 109.327 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.84 13.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' OE1' ' HB1' ' A' ' 114' ' ' ALA . 8.8 tp10 -86.32 104.84 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 62.140000000000001 110.353 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -28.85 7.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 64.400000000000006 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -62.21 -74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 65.430000000000007 110.348 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 115' ' ' SER . 2.5 mm? -54.56 150.96 15.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.96 179.52 5.99 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.527 1.803 . . . . 72.019999999999996 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.6 19.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 71.25 109.288 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.621 HD23 HD21 ' A' ' 71' ' ' LEU . 0.2 OUTLIER 59.03 155.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 70.209999999999994 109.256 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.566 ' H ' HD13 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -75.37 -7.83 55.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 65.120000000000005 109.234 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 159.87 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 64.030000000000001 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 35' ' ' ILE . 3.1 m -105.73 -26.67 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 64.230000000000004 110.359 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 11.0 mtmm -93.27 138.2 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.5 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.822 ' HA ' HG22 ' B' ' 339' ' ' THR . 14.2 m-85 -139.88 148.1 41.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 64.540000000000006 111.066 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.683 HD21 HG12 ' A' ' 23' ' ' ILE . 26.4 mt -119.04 104.38 10.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 70.040000000000006 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 95' ' ' ILE . 2.3 t -91.98 141.99 25.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 54.109999999999999 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.592 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.03 136.27 20.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 72.209999999999994 110.974 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 4.2 p-10 -83.98 49.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 73.209999999999994 109.352 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.8 p80 -155.85 27.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 74.420000000000002 109.592 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 m -143.0 -160.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 63.399999999999999 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.497 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -121.93 158.54 28.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 54.0 109.208 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.616 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.5 ppp? -54.45 -21.86 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 72.030000000000001 111.022 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.672 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -62.56 -29.92 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 60.520000000000003 110.038 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.27 -61.06 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 65.319999999999993 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 67' ' ' ILE . 3.2 tp -44.17 -28.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.349999999999994 109.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 1.8 mm -73.65 -54.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 62.299999999999997 109.293 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 42.3 mttt -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 65.209999999999994 109.311 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 1.03 HG21 HD13 ' B' ' 341' ' ' LEU . 2.7 mm -77.8 -60.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 63.229999999999997 109.318 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.676 HG12 HD12 ' A' ' 63' ' ' LEU . 16.0 mm -43.4 -61.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.109999999999999 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 22.9 ptt180 -50.42 -40.49 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 75.109999999999999 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.69 HH21 ' HB2' ' B' ' 347' ' ' ASP . 3.9 mmt180 -66.58 -31.41 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -34.28 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 71.150000000000006 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.626 HD22 ' HD2' ' A' ' 45' ' ' PRO . 2.7 mt -81.8 -19.38 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 72.230000000000004 109.356 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' CG ' ' C ' ' A' ' 71' ' ' LEU . 7.9 pt20 40.21 44.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 110.271 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.626 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -76.49 176.72 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 60.030000000000001 109.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -112.0 166.78 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 74.200000000000003 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.02 -43.67 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 44.43 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -50.66 -36.14 34.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.626 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.1 tp60 -89.13 138.19 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 75.299999999999997 110.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.59 138.86 45.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 75.299999999999997 109.265 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 2.1 t80 -130.97 127.63 38.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 111.068 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.3 m-85 -134.13 116.29 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 53.43 110.963 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.628 ' C ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -90.49 123.26 34.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 70.099999999999994 109.239 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.711 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.51 116.12 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.120000000000005 109.275 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.616 HG21 ' CE ' ' A' ' 60' ' ' MET . 2.5 t -84.78 109.56 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.329999999999998 109.308 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.57 10.41 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.329999999999998 109.345 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.85 4.79 45.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.147 . . . . 61.149999999999999 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.5 p80 -127.02 131.07 51.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 74.019999999999996 109.64 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.501 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.53 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 72.540000000000006 109.991 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -113.62 41.64 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 73.310000000000002 111.01 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.643 HG12 ' OE2' ' A' ' 117' ' ' GLU . 3.1 m -38.38 -31.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 72.209999999999994 109.282 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.8 m -123.74 102.62 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 43.149999999999999 110.058 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.672 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -108.01 88.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.430000000000007 109.278 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -127.08 18.51 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 110.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.638 HG22 HG23 ' A' ' 98' ' ' VAL . 15.5 m -128.02 145.14 54.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.010000000000005 110.467 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.0 138.47 23.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 74.200000000000003 110.978 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.713 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -47.06 -25.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 74.510000000000005 109.336 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.477 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 79.1 p -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 73.109999999999999 110.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' PRO . 36.9 mt-10 -80.88 -54.6 5.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 110.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.638 HG23 HG22 ' A' ' 93' ' ' THR . 7.4 t -43.37 -31.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 73.030000000000001 109.312 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HA ' HD11 ' A' ' 109' ' ' LEU . 1.3 t80 -81.09 -45.42 16.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.32 -4.36 29.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 74.239999999999995 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -112.89 -6.99 13.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 63.149999999999999 109.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ARG . 14.2 mm-40 -124.79 -57.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.099999999999994 110.304 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -36.77 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 73.510000000000005 110.264 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 1.1 m-20 -102.58 -178.86 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 52.109999999999999 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.41 -42.55 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.25 110.308 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.879 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -44.75 -45.96 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 72.310000000000002 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.67 13.65 29.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 33.439999999999998 111.024 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.787 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -115.35 130.93 57.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 73.310000000000002 110.972 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 109' ' ' LEU . 2.5 mt -83.37 141.35 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 71.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.12 112.49 20.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 75.439999999999998 111.023 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.555 ' SD ' HD21 ' A' ' 63' ' ' LEU . 19.6 mtt -124.31 152.84 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.010000000000005 110.955 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.6 t -129.05 127.08 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.378 1.049 . . . . 73.329999999999998 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.572 ' HD2' HG22 ' A' ' 35' ' ' ILE . 18.2 p90 -115.67 154.65 29.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 73.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.791 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -169.03 179.75 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 24.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.463 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -87.15 23.56 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 63.340000000000003 109.997 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -148.59 149.71 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 70.450000000000003 110.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.643 ' OE2' HG12 ' A' ' 89' ' ' VAL . 4.9 tt0 -123.86 -1.43 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 54.409999999999997 110.231 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 61.450000000000003 110.415 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.329 -0.619 . . . . 74.409999999999997 109.329 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' TRP . . . . . 0.854 ' NE1' HD13 ' A' ' 23' ' ' ILE . 5.8 m0 -62.93 -153.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 73.140000000000001 108.043 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 339' ' ' THR . . . . . 0.822 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -85.83 -171.14 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.25 110.377 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 340' ' ' HIS . . . . . 0.65 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -137.95 115.87 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 75.310000000000002 109.615 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 341' ' ' LEU . . . . . 1.03 HD13 HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -89.58 97.14 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 73.230000000000004 109.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -97.85 121.37 39.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 62.219999999999999 110.014 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 343' ' ' SER . . . . . 0.684 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.6 p -78.01 -1.07 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 53.030000000000001 110.021 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 344' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -92.13 -27.22 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 71.409999999999997 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.64 -1.89 44.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 61.520000000000003 110.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 346' ' ' VAL . . . . . 0.684 HG22 ' O ' ' B' ' 343' ' ' SER . 3.6 m -81.5 178.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 73.120000000000005 109.299 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 347' ' ' ASP . . . . . 0.69 ' HB2' HH21 ' A' ' 69' ' ' ARG . 20.3 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 64.450000000000003 109.36 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.013 -0.366 . . . . 54.43 110.013 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mmm -39.04 99.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 74.030000000000001 110.967 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.84 36.0 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 72.219999999999999 110.986 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -119.03 -58.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 60.340000000000003 109.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -81.02 148.58 29.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 71.450000000000003 110.291 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -64.84 167.83 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 65.129999999999995 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.576 HG23 ' HG2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -109.61 151.12 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 52.200000000000003 110.359 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' CZ ' ' HG3' ' A' ' 36' ' ' GLU . 7.0 m-85 -48.45 -22.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 75.299999999999997 111.011 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.576 ' HG2' HG23 ' A' ' 6' ' ' THR . 1.5 ptpt -81.4 -36.02 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.335 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 5.9 mm100 -89.96 -64.06 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 60.229999999999997 110.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.1 tpt180 -38.5 -79.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 63.539999999999999 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.678 ' HB2' HH21 ' A' ' 16' ' ' ARG . 9.5 mpt_? -47.09 130.27 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 70.400000000000006 110.324 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 116.93 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 61.509999999999998 109.971 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 -37.98 -63.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 71.109999999999999 110.991 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -43.68 -43.41 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 72.439999999999998 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 15' ' ' GLN . 4.2 mp0 -69.57 -34.81 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 75.040000000000006 110.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.678 HH21 ' HB2' ' A' ' 11' ' ' ARG . 16.1 tpp180 -77.03 -17.39 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 73.109999999999999 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.819 HG22 ' HA ' ' A' ' 106' ' ' ASP . 71.3 t -87.82 -42.07 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 72.239999999999995 109.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -61.47 -48.79 79.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.549999999999997 110.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -46.32 -36.51 6.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 51.310000000000002 109.319 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.612 HG23 ' CD2' ' A' ' 108' ' ' PHE . 2.4 t -69.95 -44.54 78.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 71.230000000000004 109.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -38.71 -48.31 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 73.349999999999994 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -54.71 -55.93 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 64.329999999999998 109.319 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.661 HD11 HD11 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -60.1 -25.15 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 73.030000000000001 109.357 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -76.75 -34.25 58.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 74.040000000000006 110.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -96.73 -4.93 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 75.540000000000006 110.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' LEU . 33.1 mt-30 -113.71 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 74.230000000000004 110.266 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 8.5 m-70 -117.49 80.54 13.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 74.540000000000006 109.619 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -31.42 6.33 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 74.040000000000006 111.015 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 p -90.09 29.62 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.35 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -134.7 145.64 48.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 74.25 109.287 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.576 HG21 ' HB2' ' A' ' 99' ' ' TYR . 14.2 mm -99.64 117.75 63.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 63.340000000000003 109.307 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.512 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -75.0 138.78 23.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 60.009999999999998 110.976 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.61 153.59 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 41.310000000000002 109.274 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 108' ' ' PHE . 25.1 mm -122.11 98.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 63.119999999999997 109.262 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.893 HD13 HD11 ' A' ' 67' ' ' ILE . 20.3 mt -96.37 125.88 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 64.400000000000006 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.58 ' OE1' HG23 ' A' ' 50' ' ' THR . 9.0 mm-40 -142.69 162.03 36.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 73.349999999999994 110.257 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.71 141.28 49.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 73.239999999999995 110.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.85 139.08 56.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 54.109999999999999 110.992 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 8.2 mtmp? -55.26 94.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 73.549999999999997 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.06 19.85 7.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 74.450000000000003 111.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.694 ' CD ' ' HB1' ' A' ' 114' ' ' ALA . 8.7 tp10 -84.81 115.13 22.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 0.731 . . . . 62.140000000000001 110.303 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' C ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -113.73 -12.54 12.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 64.400000000000006 109.283 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -74.13 -86.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 65.430000000000007 110.275 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 79' ' ' PHE . 19.4 mt -54.77 143.91 48.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 74.319999999999993 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.03 169.68 22.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.813 . . . . 72.019999999999996 111.008 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 46' ' ' VAL . 3.1 p -73.63 115.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 71.25 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.619 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.36 150.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 70.209999999999994 109.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.533 ' H ' HD13 ' A' ' 47' ' ' LEU . 38.0 t0 -64.65 -41.69 95.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 65.120000000000005 109.328 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -132.81 165.7 23.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 64.030000000000001 109.275 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.58 HG23 ' OE1' ' A' ' 36' ' ' GLU . 2.3 m -102.68 -33.71 9.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 64.230000000000004 110.392 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HB3' ' CE3' ' B' ' 338' ' ' TRP . 22.2 mtmm -96.05 137.71 34.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 74.5 109.296 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HB3' HD21 ' B' ' 341' ' ' LEU . 29.4 m-85 -139.05 130.28 26.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 64.540000000000006 110.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.661 HD11 HD11 ' A' ' 23' ' ' ILE . 3.5 mt -95.42 104.17 16.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 70.040000000000006 109.28 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.678 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -91.48 141.63 26.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 54.109999999999999 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.543 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -74.99 135.38 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 72.209999999999994 111.021 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 5.5 p-10 -87.11 46.01 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.858 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.17 21.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.625 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.858 HG13 ' ND1' ' A' ' 57' ' ' HIS . 35.0 m -137.15 -167.99 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 63.399999999999999 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -115.22 150.75 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 54.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.635 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.8 ppp? -44.73 -28.08 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 72.030000000000001 111.017 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.631 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -55.54 -50.8 69.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 60.520000000000003 109.993 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 11.1 mm-40 -43.65 -57.4 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 65.319999999999993 110.267 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 35' ' ' ILE . 8.6 tp -40.38 -38.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 75.349999999999994 109.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 64' ' ' ILE . 5.8 mm -63.05 -64.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 62.299999999999997 109.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -51.67 -22.86 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 65.209999999999994 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.87 ' CG2' HD13 ' B' ' 341' ' ' LEU . 2.7 mm -78.45 -47.04 24.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 63.229999999999997 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.893 HD11 HD13 ' A' ' 35' ' ' ILE . 14.6 mm -55.87 -55.37 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 74.109999999999999 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 14.0 mtp180 -40.58 -49.45 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 75.109999999999999 110.34 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' NH1' ' H ' ' B' ' 347' ' ' ASP . 8.7 mmp_? -53.5 -43.34 68.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 110.32 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -64.21 -53.35 50.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 71.150000000000006 110.32 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.619 HD21 HD22 ' A' ' 47' ' ' LEU . 60.1 mt -66.72 -16.74 64.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 72.230000000000004 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' ARG . 24.8 pt20 38.57 56.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 73.519999999999996 110.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 mt -88.99 169.08 11.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 60.030000000000001 109.278 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -89.84 173.12 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 74.200000000000003 109.329 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.06 -8.19 53.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 44.43 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -92.31 -34.63 14.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.128 . . . . 74.340000000000003 109.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.438 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -66.05 146.99 54.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.299999999999997 110.34 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -111.49 126.5 55.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 75.299999999999997 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.72 ' CE1' HG21 ' A' ' 67' ' ' ILE . 1.4 t80 -134.16 135.37 43.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 75.540000000000006 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.508 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 21.6 m-85 -143.23 117.08 9.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 53.43 110.971 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.604 HD12 HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -85.71 116.39 23.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 70.099999999999994 109.277 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.635 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -91.32 120.0 31.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.120000000000005 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.711 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.7 t -86.51 111.9 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 75.329999999999998 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.425 ' ND2' ' OE1' ' A' ' 102' ' ' GLU . 1.5 m-20 69.2 11.32 8.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.244 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.17 5.6 49.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 61.149999999999999 110.996 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 83' ' ' VAL . 22.4 p80 -126.35 130.09 50.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 74.019999999999996 109.6 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.59 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.73 172.16 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 72.540000000000006 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.51 41.33 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.310000000000002 110.985 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.431 HG22 ' H ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -39.41 -30.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 72.209999999999994 109.291 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 m -120.59 103.21 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 43.149999999999999 110.016 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.635 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -107.48 89.65 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.266 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.2 m -127.25 16.42 7.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 74.420000000000002 109.972 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 98' ' ' VAL . 3.0 m -127.68 146.43 58.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 72.010000000000005 110.39 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.721 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.02 143.22 28.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 74.200000000000003 110.976 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.678 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -52.25 -21.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.510000000000005 109.321 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.4 p -70.63 -41.05 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.109999999999999 110.024 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 10.9 mm-40 -82.1 -52.32 7.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 74.430000000000007 110.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 93' ' ' THR . 3.2 t -45.98 -30.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 73.030000000000001 109.309 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' HB2' HG21 ' A' ' 31' ' ' ILE . 3.6 t80 -75.26 -56.44 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -71.79 -4.6 28.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.311 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.8 m -104.37 -3.43 24.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 63.149999999999999 109.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE1' ' ND2' ' A' ' 84' ' ' ASN . 14.8 mm-40 -134.32 -59.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 75.099999999999994 110.263 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 3.2 ppt_? -38.33 157.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 73.510000000000005 110.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -105.73 177.6 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 52.109999999999999 109.289 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -45.95 -33.47 3.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 74.25 110.301 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.819 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -45.87 -45.67 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 72.310000000000002 109.291 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.43 27.49 10.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 33.439999999999998 110.97 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -137.85 128.16 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 73.310000000000002 111.01 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 99' ' ' TYR . 4.5 mt -78.86 152.84 31.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 71.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 67.6 m-85 -134.92 107.44 7.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 75.439999999999998 110.986 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.711 ' SD ' HG22 ' A' ' 83' ' ' VAL . 7.5 mtt -124.85 143.01 51.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 64.010000000000005 111.023 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 2.6 t -115.54 123.19 70.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 73.329999999999998 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.528 ' CE2' HD23 ' A' ' 47' ' ' LEU . 13.4 p90 -103.21 152.44 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 73.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.694 ' HB1' ' CD ' ' A' ' 41' ' ' GLU . . . -171.48 177.3 3.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 24.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.0 t -91.58 29.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 63.340000000000003 109.99 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -149.87 120.67 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 70.450000000000003 110.284 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.508 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 5.4 tt0 -105.99 -6.4 18.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 54.409999999999997 110.31 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 46.9 p -132.52 52.8 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 61.450000000000003 110.411 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 120' ' ' GLY . 53.3 p90 -90.88 -27.33 18.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 111.026 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 75.540000000000006 111.015 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.499 0.19 . . . . 62.229999999999997 111.008 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 2.8 t -123.6 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 65.519999999999996 110.019 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -92.28 16.26 60.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.448 1.092 . . . . 43.009999999999998 111.037 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 170.25 165.77 28.14 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.019 -0.832 . . . . 53.43 111.019 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.06 63.0 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 71.129999999999995 109.279 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -71.1 -46.98 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.319999999999993 109.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -153.46 126.56 8.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 74.409999999999997 109.306 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.755 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 6.7 m0 -69.64 -151.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 73.140000000000001 108.012 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.475 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 3.6 m -91.32 157.37 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 75.25 110.395 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.31 121.51 43.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.549 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.87 HD13 ' CG2' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -96.16 84.0 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 73.230000000000004 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -93.54 130.57 39.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 62.219999999999999 110.01 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.488 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.1 OUTLIER -88.81 9.75 23.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 53.030000000000001 109.999 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.467 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.06 -23.24 16.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 71.409999999999997 109.301 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.32 -0.66 57.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 61.520000000000003 110.339 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 343' ' ' SER . 4.4 m -77.43 167.96 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 73.120000000000005 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . 0.425 ' H ' ' NH1' ' A' ' 69' ' ' ARG . 31.2 t70 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.450000000000003 109.322 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.009 -0.367 . . . . 54.43 110.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.465 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.6 OUTLIER -153.01 144.85 16.67 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 74.030000000000001 111.074 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.97 -34.25 4.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.537 1.809 . . . . 72.219999999999999 110.98 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -123.92 141.21 52.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 60.340000000000003 109.938 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 8.9 tp10 -103.82 132.23 50.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 71.450000000000003 110.366 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' N ' ' CD ' ' A' ' 4' ' ' GLU . 74.8 mttt -52.07 176.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 65.129999999999995 109.307 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.459 ' CG2' ' HD3' ' A' ' 39' ' ' LYS . 71.5 p -117.98 152.32 35.72 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.474 1.109 . . . . 52.200000000000003 110.407 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.589 ' CE1' ' OE2' ' A' ' 36' ' ' GLU . 18.3 m-85 -47.09 -23.57 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.299999999999997 110.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' CG ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -79.31 -39.11 33.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.4 mm100 -92.99 -66.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 60.229999999999997 110.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 6' ' ' THR . 22.0 tpt180 -40.35 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 63.539999999999999 110.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HG2' ' NE ' ' A' ' 16' ' ' ARG . 6.3 mpt_? -58.66 138.85 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 70.400000000000006 110.37 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 2.2 m -64.89 127.16 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 61.509999999999998 110.001 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.792 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.1 t80 -47.78 -58.61 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 71.109999999999999 111.045 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -52.51 -19.62 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 110.229 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 12' ' ' SER . 2.7 tt0 -75.79 -41.28 53.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 75.040000000000006 110.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' NE ' ' HG2' ' A' ' 11' ' ' ARG . 2.3 mpt_? -79.47 -49.47 12.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 73.109999999999999 110.378 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.013 HG12 ' CB ' ' A' ' 106' ' ' ASP . 3.2 m -44.0 -41.46 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 72.239999999999995 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.84 -44.44 93.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 110.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' CG ' ' NZ ' ' A' ' 51' ' ' LYS . 2.4 t0 -54.12 -33.34 57.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.518 1.136 . . . . 51.310000000000002 109.233 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.532 HG23 ' CD2' ' A' ' 108' ' ' PHE . 2.6 t -69.37 -44.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 71.230000000000004 109.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' VAL . 39.3 ttt85 -38.62 -41.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 73.349999999999994 110.258 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -68.23 -61.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 64.329999999999998 109.341 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.778 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -46.95 -25.4 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 73.030000000000001 109.3 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 8.5 mmm180 -79.71 -39.19 31.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 74.040000000000006 110.303 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.9 pt-20 -89.37 -4.38 58.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 75.540000000000006 110.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' LEU . 66.2 mt-30 -111.25 -56.87 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 74.230000000000004 110.339 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.682 ' CG ' HD13 ' A' ' 53' ' ' LEU . 23.2 m-70 -117.64 80.09 13.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 74.540000000000006 109.633 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.503 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.94 -31.28 6.44 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.551 1.817 . . . . 74.040000000000006 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 p -90.18 28.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 72.209999999999994 110.415 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -136.13 147.19 47.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.25 109.274 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.704 ' HB ' HG13 ' A' ' 54' ' ' VAL . 29.6 mm -100.0 117.11 63.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 63.340000000000003 109.295 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.94 138.41 23.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 60.009999999999998 110.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.42 156.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 41.310000000000002 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 108' ' ' PHE . 25.4 mm -128.58 95.49 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 63.119999999999997 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.716 ' CD1' HD11 ' A' ' 67' ' ' ILE . 24.6 mt -93.84 120.35 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 64.400000000000006 109.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.589 ' OE2' ' CE1' ' A' ' 7' ' ' PHE . 2.2 mm-40 -128.47 166.93 17.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 73.349999999999994 110.302 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.9 ptt85 -77.26 138.89 39.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 73.239999999999995 110.385 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.06 139.13 55.27 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.569 1.168 . . . . 54.109999999999999 111.004 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 22.6 mtmm -57.32 96.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 73.549999999999997 109.244 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.91 17.65 8.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 74.450000000000003 111.03 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.5 tp10 -105.66 107.3 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 62.140000000000001 110.258 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -31.31 6.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 64.400000000000006 109.219 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.424 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.9 mm-40 -39.17 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 65.430000000000007 110.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.594 HD11 ' CA ' ' A' ' 115' ' ' SER . 2.8 mt -58.41 151.68 48.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.319999999999993 109.289 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 165.12 32.06 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.808 . . . . 72.019999999999996 111.093 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' LEU . 2.6 p -73.71 114.81 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 71.25 109.278 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.483 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.26 141.89 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 70.209999999999994 109.284 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.483 ' H ' HD13 ' A' ' 47' ' ' LEU . 2.6 m-20 -40.55 -39.2 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.244 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -159.3 -171.14 3.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 64.030000000000001 109.317 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.405 HG22 ' HG2' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -114.5 -28.45 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 64.230000000000004 110.388 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 6.7 mtmt -90.61 130.13 36.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 74.5 109.29 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HA ' HG22 ' B' ' 339' ' ' THR . 59.3 m-85 -140.18 136.9 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 64.540000000000006 110.986 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 27' ' ' HIS . 8.9 mt -105.07 103.16 12.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 70.040000000000006 109.233 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.732 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.1 p -95.84 143.85 26.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.441 1.088 . . . . 54.109999999999999 109.3 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.98 130.42 13.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 72.209999999999994 110.974 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -81.34 52.21 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.209999999999994 109.266 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.803 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.57 21.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 74.420000000000002 109.622 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.803 HG13 ' ND1' ' A' ' 57' ' ' HIS . 34.1 m -138.28 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.543 1.152 . . . . 63.399999999999999 109.344 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -110.98 162.18 15.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 54.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.563 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -58.89 -25.18 63.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 72.030000000000001 111.041 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.524 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -58.7 -50.56 73.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 60.520000000000003 110.052 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' LYS . 11.0 mm-40 -42.28 -52.48 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 65.319999999999993 110.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 35' ' ' ILE . 4.8 tp -47.4 -39.89 16.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' SER . 8.1 mm -59.46 -39.61 79.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 62.299999999999997 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 68.9 mttt -72.9 -37.98 67.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 65.209999999999994 109.225 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.923 HG21 ' HB3' ' B' ' 341' ' ' LEU . 15.5 mm -66.37 -30.61 50.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 63.229999999999997 109.299 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 35' ' ' ILE . 20.1 mm -77.1 -68.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.321 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -44.71 -40.45 5.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 75.109999999999999 110.268 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.559 HH21 ' HB2' ' B' ' 347' ' ' ASP . 5.1 mmt180 -61.04 -37.42 82.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.088 . . . . 73.230000000000004 110.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.0 mtt85 -69.02 -49.09 60.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 71.150000000000006 110.307 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.456 HD21 HD22 ' A' ' 47' ' ' LEU . 12.3 mt -61.57 -17.5 55.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 72.230000000000004 109.27 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 38.85 50.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.519999999999996 110.273 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.611 HD13 ' OE1' ' A' ' 77' ' ' GLN . 2.2 mt -79.52 -178.52 6.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 60.030000000000001 109.311 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.67 174.79 6.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 74.200000000000003 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.41 -24.24 62.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 44.43 109.281 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -77.58 -38.09 49.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 74.340000000000003 109.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.611 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 tm0? -64.97 143.48 57.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 110.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.577 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -112.61 139.79 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 75.299999999999997 109.337 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -142.29 137.05 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 111.025 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -143.16 134.93 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 53.43 110.995 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.31 114.24 26.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 70.099999999999994 109.306 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 3.2 mm? -92.49 109.69 21.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 74.120000000000005 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.895 HG22 ' SD ' ' A' ' 111' ' ' MET . 3.9 t -80.4 111.86 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.329999999999998 109.279 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.6 OUTLIER 69.4 8.42 6.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 73.329999999999998 109.325 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 11.41 35.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.456 1.098 . . . . 61.149999999999999 110.926 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 15.3 p80 -132.35 142.97 49.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 74.019999999999996 109.675 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.15 166.58 1.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 72.540000000000006 109.976 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.403 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.8 11.67 18.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 73.310000000000002 111.029 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.7 p -39.96 135.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.285 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.8 OUTLIER 86.44 21.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 43.149999999999999 109.989 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.563 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -38.72 99.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 73.430000000000007 109.321 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.1 m -132.36 15.52 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 74.420000000000002 109.995 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 90.1 m -130.11 143.27 48.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.572 1.17 . . . . 72.010000000000005 110.383 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.01 144.51 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 74.200000000000003 110.95 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.511 HG21 ' CG2' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -54.55 -20.84 5.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.338 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.2 p -67.0 -38.25 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 109.955 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 100' ' ' GLU . 40.5 mt-10 -89.39 -51.67 5.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 74.430000000000007 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 39.1 t -42.77 -36.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.714 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.75 -37.23 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 73.420000000000002 111.012 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 pt-20 -79.49 -4.02 49.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 74.239999999999995 110.28 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.45 5.81 13.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.149999999999999 110.045 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ARG . 10.2 mm-40 -135.49 -51.22 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 75.099999999999994 110.344 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.49 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.6 ppt_? -36.22 153.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 73.510000000000005 110.238 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -110.16 -179.41 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 52.109999999999999 109.277 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -38.71 -53.6 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 74.25 110.309 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 1.013 ' CB ' HG12 ' A' ' 17' ' ' VAL . 23.6 p-10 -44.65 -49.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 72.310000000000002 109.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 101.67 23.84 9.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 33.439999999999998 111.026 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.732 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.64 131.28 56.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 0.765 . . . . 73.310000000000002 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.714 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.29 141.67 38.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 71.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -126.42 107.58 10.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 75.439999999999998 110.984 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.895 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.7 mtt -131.39 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 64.010000000000005 111.038 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.7 t -103.82 134.49 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 73.329999999999998 109.358 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 2.7 p90 -112.9 143.92 43.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 73.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -156.71 178.36 10.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 24.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.594 ' CA ' HD11 ' A' ' 44' ' ' LEU . 30.2 t -88.77 18.28 4.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.421 1.076 . . . . 63.340000000000003 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -150.09 150.38 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 70.450000000000003 110.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 2.7 tt0 -123.92 -1.82 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 54.409999999999997 110.221 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.2 p -134.04 54.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.450000000000003 110.417 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -93.99 -22.85 18.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 75.129999999999995 111.05 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 111.0 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 14.5 mtp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.444 0.164 . . . . 62.229999999999997 111.053 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 51.5 p -162.69 172.45 15.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 65.519999999999996 110.05 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 106.89 -25.83 21.27 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.534 1.146 . . . . 43.009999999999998 110.945 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.66 128.77 3.21 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.049 -0.82 . . . . 53.43 111.049 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.495 ' HB2' ' HZ1' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -126.09 69.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 71.129999999999995 109.284 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.43 -58.62 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 73.319999999999993 109.274 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.41 126.05 47.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 74.409999999999997 109.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.778 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.6 m0 -78.74 -153.58 0.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.54 1.15 . . . . 73.140000000000001 107.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -94.19 160.57 14.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 75.25 110.36 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . 0.413 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.1 OUTLIER -112.33 130.87 55.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 75.310000000000002 109.558 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.923 ' HB3' HG21 ' A' ' 66' ' ' ILE . 6.0 mt -97.63 113.61 25.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.484 1.115 . . . . 73.230000000000004 109.302 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -105.25 130.95 53.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 62.219999999999999 110.054 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.578 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -84.05 3.92 32.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 53.030000000000001 110.006 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.425 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -94.63 -29.57 14.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 71.409999999999997 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -81.59 -0.68 43.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 61.520000000000003 110.345 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.599 HG12 HD13 ' A' ' 66' ' ' ILE . 4.8 m -75.62 -176.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 73.120000000000005 109.354 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . 0.559 ' HB2' HH21 ' A' ' 69' ' ' ARG . 35.2 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 64.450000000000003 109.284 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.015 -0.365 . . . . 54.43 110.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtp -127.08 95.42 36.78 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 74.030000000000001 111.056 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.64 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.552 1.817 . . . . 72.219999999999999 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -171.78 134.47 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 60.340000000000003 110.013 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' A' ' 5' ' ' LYS . 10.1 tp10 -127.48 131.51 50.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 71.450000000000003 110.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' N ' ' CD ' ' A' ' 4' ' ' GLU . 46.9 mttp -53.5 177.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 65.129999999999995 109.338 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.753 HG23 ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -114.26 155.46 26.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 52.200000000000003 110.423 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.545 ' CD1' ' OE2' ' A' ' 36' ' ' GLU . 89.8 m-85 -49.21 -22.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 75.299999999999997 111.004 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.753 ' HG3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -81.55 -34.49 31.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.124 . . . . 74.230000000000004 109.257 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' THR . 28.5 mt-30 -95.41 -65.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 60.229999999999997 110.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.628 ' HG2' HH21 ' A' ' 11' ' ' ARG . 29.8 tpt180 -37.91 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 63.539999999999999 110.314 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.628 HH21 ' HG2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -47.32 108.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 70.400000000000006 110.303 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.0 t -54.36 130.09 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 61.509999999999998 110.034 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.4 t80 -44.96 -42.08 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 71.109999999999999 111.045 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.99 -39.91 95.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 72.439999999999998 110.274 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -63.89 -34.85 78.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 75.040000000000006 110.256 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.494 ' CD ' ' OH ' ' A' ' 110' ' ' TYR . 18.2 ttm105 -74.57 -60.21 2.38 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 110.256 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 106' ' ' ASP . 97.7 t -45.09 -29.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 72.239999999999995 109.333 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -81.66 -40.01 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 74.549999999999997 110.243 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ARG . 13.5 t70 -60.83 -31.4 70.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 51.310000000000002 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.76 -37.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 71.230000000000004 109.303 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -42.84 -41.47 3.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 73.349999999999994 110.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.5 mt -64.48 -64.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 64.329999999999998 109.29 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.67 HD11 HD11 ' A' ' 53' ' ' LEU . 1.1 tp -48.72 -24.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 73.030000000000001 109.236 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -81.23 -35.65 30.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.040000000000006 110.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' LEU . 5.3 pt-20 -91.25 -5.13 55.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 75.540000000000006 110.307 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' LEU . 32.3 mt-30 -114.84 -54.99 2.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 74.230000000000004 110.353 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.6 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 21.7 m-70 -117.76 80.39 13.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 74.540000000000006 109.635 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -31.45 6.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.474 1.776 . . . . 74.040000000000006 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -90.0 29.7 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 72.209999999999994 110.416 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.07 148.21 49.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 74.25 109.29 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.731 HG23 ' CD2' ' A' ' 99' ' ' TYR . 16.4 mm -103.27 116.98 61.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 63.340000000000003 109.323 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.58 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.96 133.87 17.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.548 1.815 . . . . 60.009999999999998 111.031 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.437 HG12 ' HB2' ' A' ' 109' ' ' LEU . 4.3 m -139.54 155.09 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 41.310000000000002 109.243 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.657 HG23 HG22 ' A' ' 50' ' ' THR . 8.3 mm -123.43 98.76 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 63.119999999999997 109.289 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.871 HD12 HD11 ' A' ' 81' ' ' LEU . 4.3 mm -88.36 113.88 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 64.400000000000006 109.279 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.545 ' OE2' ' CD1' ' A' ' 7' ' ' PHE . 73.0 mt-10 -124.84 157.46 35.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 73.349999999999994 110.34 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.43 142.3 50.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 73.239999999999995 110.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -64.88 138.78 58.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 54.109999999999999 110.977 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 ptmm? -56.72 100.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 73.549999999999997 109.297 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.86 17.96 11.23 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 110.979 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 43' ' ' GLN . 7.4 tp10 -103.56 109.18 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 62.140000000000001 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 -37.14 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 64.400000000000006 109.285 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 51.3 mt-30 -38.88 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 65.430000000000007 110.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 73' ' ' LEU . 5.0 mt -57.87 150.71 47.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.518 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.93 167.48 26.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.469 1.773 . . . . 72.019999999999996 111.016 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -81.5 118.43 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 71.25 109.309 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.585 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -42.57 144.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 70.209999999999994 109.295 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.585 ' H ' HD13 ' A' ' 47' ' ' LEU . 11.0 t0 -46.1 -44.48 15.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 65.120000000000005 109.245 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.19 -174.58 4.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 64.030000000000001 109.249 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 35' ' ' ILE . 2.3 m -113.48 -25.78 8.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 64.230000000000004 110.429 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 7.9 mtmt -87.69 128.95 35.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.5 109.252 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.638 ' HA ' HG22 ' B' ' 339' ' ' THR . 96.6 m-85 -140.53 130.32 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 64.540000000000006 111.028 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.67 HD11 HD11 ' A' ' 23' ' ' ILE . 2.5 mt -96.46 104.4 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 70.040000000000006 109.355 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.73 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.2 p -102.21 143.58 26.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 54.109999999999999 109.338 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.73 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 136.01 19.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.464 1.771 . . . . 72.209999999999994 110.99 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -87.54 46.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 73.209999999999994 109.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.764 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.2 22.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.617 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.764 HG13 ' ND1' ' A' ' 57' ' ' HIS . 35.6 m -134.62 -166.21 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 63.399999999999999 109.27 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.418 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.7 147.64 37.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 54.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.6 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.2 ppp? -46.17 -25.38 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.674 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -56.41 -54.83 41.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 60.520000000000003 110.019 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.26 -57.15 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 65.319999999999993 110.28 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.941 HD12 HD11 ' A' ' 95' ' ' ILE . 1.1 tt -40.68 -42.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 75.349999999999994 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.0 mm -59.75 -54.89 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 62.299999999999997 109.338 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -57.32 -19.26 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 65.209999999999994 109.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.893 ' CG2' HD13 ' B' ' 341' ' ' LEU . 2.8 mm -85.06 -39.42 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 63.229999999999997 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.601 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.7 mm -67.55 -52.88 36.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.109999999999999 109.261 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.4 -21.99 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 75.109999999999999 110.216 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.439 HH21 ' HB2' ' B' ' 347' ' ' ASP . 4.6 mmt180 -77.2 -29.15 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.230000000000004 110.253 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.579 ' CB ' HD11 ' A' ' 47' ' ' LEU . 7.5 mmm180 -77.23 -39.85 47.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 71.150000000000006 110.313 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD22 ' HD2' ' A' ' 45' ' ' PRO . 9.0 mt -77.65 -6.59 54.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.177 . . . . 72.230000000000004 109.277 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 38.7 44.98 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.318 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.894 HD22 ' HG2' ' A' ' 77' ' ' GLN . 11.6 mt -83.62 174.66 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 60.030000000000001 109.373 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -131.17 -171.65 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 74.200000000000003 109.324 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.69 78.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 44.43 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -60.81 -38.76 86.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.298 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.894 ' HG2' HD22 ' A' ' 73' ' ' LEU . 50.1 tp60 -93.77 138.02 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 110.342 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.25 135.11 46.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 75.299999999999997 109.279 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.601 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -136.25 133.42 36.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 75.540000000000006 110.959 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.513 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.4 m-85 -143.42 115.6 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 53.43 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD11 HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -84.95 114.62 22.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 70.099999999999994 109.262 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -86.95 116.44 25.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.120000000000005 109.245 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 12.0 t -76.58 104.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 75.329999999999998 109.246 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.461 ' CB ' ' NE2' ' A' ' 86' ' ' HIS . 1.4 m-20 69.89 8.24 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 73.329999999999998 109.325 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.23 -2.38 26.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 61.149999999999999 111.048 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 3.3 p80 -119.17 127.02 52.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 0.813 . . . . 74.019999999999996 109.607 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.497 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.48 172.04 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.095 . . . . 72.540000000000006 109.983 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -118.32 42.22 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 73.310000000000002 110.964 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -38.57 -31.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 72.209999999999994 109.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 88' ' ' MET . 1.5 m -121.43 103.44 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 43.149999999999999 109.96 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.674 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -107.31 88.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.328 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -126.84 17.55 7.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 74.420000000000002 110.077 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.599 HG23 ' HD2' ' A' ' 94' ' ' PRO . 19.2 m -127.53 144.88 52.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 72.010000000000005 110.358 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.04 138.66 23.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 74.200000000000003 110.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -47.23 -26.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 74.510000000000005 109.26 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 94' ' ' PRO . 95.9 p -61.49 -43.68 98.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.109999999999999 109.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -81.13 -55.85 4.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 74.430000000000007 110.324 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 93' ' ' THR . 3.9 t -41.69 -30.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.731 ' CD2' HG23 ' A' ' 31' ' ' ILE . 1.5 t80 -81.13 -47.36 13.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 73.420000000000002 110.956 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.34 -4.35 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 74.239999999999995 110.298 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 m -111.22 -11.24 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 63.149999999999999 110.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 109' ' ' LEU . 55.0 mm-40 -121.09 -57.54 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.511 1.132 . . . . 75.099999999999994 110.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.1 ppt_? -37.55 152.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 73.510000000000005 110.27 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.31 -175.19 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 52.109999999999999 109.262 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 42.8 mt-10 -45.38 -46.6 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 74.25 110.308 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.763 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -39.96 -49.51 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.310000000000002 109.34 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.436 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 103.45 0.23 46.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 33.439999999999998 110.985 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.654 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -108.29 134.0 51.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 73.310000000000002 110.946 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.4 mt -79.0 148.6 32.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 71.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.494 ' OH ' ' CD ' ' A' ' 16' ' ' ARG . 96.8 m-85 -125.56 112.18 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 75.439999999999998 110.983 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.595 ' HB3' HD22 ' A' ' 81' ' ' LEU . 15.9 mtt -127.42 148.39 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.605 1.19 . . . . 64.010000000000005 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.529 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.4 t -126.83 115.89 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 73.329999999999998 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.531 ' HD2' HG22 ' A' ' 35' ' ' ILE . 5.4 p90 -100.42 156.31 17.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 73.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.462 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -176.17 178.28 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 24.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.53 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.4 t -90.63 32.33 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.340000000000003 110.046 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -149.87 123.06 8.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 70.450000000000003 110.338 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.513 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 6.0 tt0 -111.58 -7.59 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 54.409999999999997 110.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 61.9 p -132.83 52.96 2.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 61.450000000000003 110.423 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -87.07 -29.1 22.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.405 1.065 . . . . 75.129999999999995 111.073 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 75.540000000000006 111.022 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 20.5 mtt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.434 0.159 . . . . 62.229999999999997 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 85.9 p -127.96 9.19 6.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 65.519999999999996 109.985 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.25 149.79 5.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 43.009999999999998 111.032 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -80.83 -111.86 0.31 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.994 -0.843 . . . . 53.43 110.994 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.93 40.84 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 0.791 . . . . 71.129999999999995 109.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -44.6 -45.91 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 73.319999999999993 109.357 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.95 131.92 41.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 74.409999999999997 109.307 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.654 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 4.8 m0 -69.01 -154.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 73.140000000000001 108.032 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -95.81 159.3 15.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 75.25 110.402 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 132.09 45.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.13 . . . . 75.310000000000002 109.58 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.893 HD13 ' CG2' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -100.14 85.72 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 109.252 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.0 120.1 32.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 62.219999999999999 109.985 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' B' ' 343' ' ' SER . 0.0 OUTLIER -86.67 13.75 8.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 53.030000000000001 109.983 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 -24.6 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 71.409999999999997 109.314 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -89.53 -0.47 57.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 61.520000000000003 110.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.405 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 3.0 m -82.85 167.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 73.120000000000005 109.33 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . 0.439 ' HB2' HH21 ' A' ' 69' ' ' ARG . 24.8 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 64.450000000000003 109.253 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.982 -0.377 . . . . 54.43 109.982 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mmt -62.7 156.26 65.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 74.030000000000001 111.017 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 154.88 42.88 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.448 1.762 . . . . 72.219999999999999 110.95 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -127.27 170.63 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 60.340000000000003 109.978 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -109.86 157.09 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 71.450000000000003 110.27 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -54.75 -170.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 65.129999999999995 109.289 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 4.1 p -127.56 154.3 45.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 52.200000000000003 110.432 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.563 ' CD1' ' HD3' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -41.72 -27.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 75.299999999999997 111.015 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 21.5 ptmt -71.73 -48.81 44.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 74.230000000000004 109.318 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.0 mm100 -83.31 -60.72 2.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 60.229999999999997 110.33 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 6' ' ' THR . 36.7 tpt85 -50.66 -72.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 63.539999999999999 110.377 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.544 ' HB2' ' CD1' ' A' ' 7' ' ' PHE . 2.8 mpt_? -69.3 119.11 13.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 70.400000000000006 110.262 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.77 133.13 51.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 61.509999999999998 109.986 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -47.0 -47.44 22.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 71.109999999999999 110.983 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.74 -29.3 66.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 110.29 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -82.46 -29.09 30.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.329 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.582 HH21 ' HD1' ' A' ' 13' ' ' PHE . 38.9 ttp180 -83.43 -23.66 32.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 73.109999999999999 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.898 HG22 ' HA ' ' A' ' 106' ' ' ASP . 72.8 t -81.82 -34.99 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 72.239999999999995 109.292 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 15.7 pt-20 -75.66 -42.9 50.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 74.549999999999997 110.383 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -50.47 -46.17 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 51.310000000000002 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER -61.96 -44.72 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 71.230000000000004 109.348 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 12.6 ttm180 -38.53 -46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 73.349999999999994 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.8 mt -61.1 -49.31 77.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.589 1.181 . . . . 64.329999999999998 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.798 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.2 tp -61.59 -22.99 29.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.525 1.141 . . . . 73.030000000000001 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -82.06 -37.11 26.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 74.040000000000006 110.381 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -88.16 -12.88 42.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 75.540000000000006 110.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 22' ' ' LEU . 67.2 mt-30 -104.92 -51.21 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 74.230000000000004 110.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 10.5 m-70 -122.34 77.03 44.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.540000000000006 109.554 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -29.2 8.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.542 1.812 . . . . 74.040000000000006 110.998 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 64.4 p -90.54 25.67 2.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 72.209999999999994 110.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.47 149.8 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 74.25 109.227 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.663 HG23 ' CD2' ' A' ' 99' ' ' TYR . 16.0 mm -101.52 116.68 63.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 63.340000000000003 109.361 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 139.36 24.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 60.009999999999998 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 52' ' ' PHE . 1.5 m -143.82 159.44 16.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 41.310000000000002 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.486 HG13 ' CD1' ' A' ' 108' ' ' PHE . 2.8 mm -136.78 95.81 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 63.119999999999997 109.316 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.81 HD13 HD11 ' A' ' 67' ' ' ILE . 14.3 mt -89.01 127.78 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 64.400000000000006 109.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -129.65 152.87 48.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 73.349999999999994 110.301 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -64.86 136.16 56.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 73.239999999999995 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.501 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 11.7 t80 -59.89 148.85 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 54.109999999999999 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.7 ptpp? -69.6 93.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 73.549999999999997 109.285 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.67 21.22 6.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 74.450000000000003 111.02 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -109.45 111.14 22.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 0.722 . . . . 62.140000000000001 110.258 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.13 -31.04 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 64.400000000000006 109.353 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -42.65 -81.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 65.430000000000007 110.36 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.599 HD12 ' C ' ' A' ' 114' ' ' ALA . 14.2 mt -55.91 143.03 62.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 74.319999999999993 109.26 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -75.01 167.01 27.99 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.532 1.806 . . . . 72.019999999999996 111.045 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.79 117.35 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 71.25 109.271 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.603 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.33 146.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.16 . . . . 70.209999999999994 109.248 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.603 ' H ' HD13 ' A' ' 47' ' ' LEU . 13.7 t0 -52.07 -45.91 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 65.120000000000005 109.245 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.3 175.68 9.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 64.030000000000001 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -108.47 -25.99 10.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 64.230000000000004 110.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 8.7 mtmm -97.79 132.16 43.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 74.5 109.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.638 ' HB3' HD11 ' B' ' 341' ' ' LEU . 29.8 m-85 -139.69 138.07 35.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 64.540000000000006 111.008 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' CG ' ' A' ' 27' ' ' HIS . 7.6 mt -103.99 104.21 14.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 70.040000000000006 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.755 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -88.29 141.61 30.95 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 54.109999999999999 109.263 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.07 132.69 15.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 72.209999999999994 110.955 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -86.71 46.0 1.31 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.906 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -148.8 19.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 74.420000000000002 109.555 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.906 HG13 ' ND1' ' A' ' 57' ' ' HIS . 33.0 m -137.09 -165.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 63.399999999999999 109.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -117.03 150.51 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 54.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.628 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -46.13 -24.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 72.030000000000001 111.043 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.677 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -58.05 -56.16 25.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 60.520000000000003 110.002 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' OE1' HG11 ' A' ' 58' ' ' VAL . 21.8 mt-10 -42.05 -50.07 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 65.319999999999993 110.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.922 HD12 HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -44.21 -44.92 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 75.349999999999994 109.247 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.448 ' N ' HD13 ' A' ' 64' ' ' ILE . 5.8 mm -57.8 -41.51 79.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 62.299999999999997 109.302 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' GLU . 60.6 mtpt -67.06 -35.64 80.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 65.209999999999994 109.31 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.932 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.6 mm -67.76 -38.88 81.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 63.229999999999997 109.346 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.81 HD11 HD13 ' A' ' 35' ' ' ILE . 19.8 mm -68.69 -69.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 74.109999999999999 109.27 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -28.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.109999999999999 110.345 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 67' ' ' ILE . 2.5 mmp_? -69.96 -49.72 48.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 73.230000000000004 110.24 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER -58.36 -35.4 71.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.61 1.194 . . . . 71.150000000000006 110.327 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.642 HD22 ' HD2' ' A' ' 45' ' ' PRO . 6.1 mt -82.36 -16.73 48.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 72.230000000000004 109.368 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' LEU . 19.6 pt20 38.6 47.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.283 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.886 HD22 ' HG2' ' A' ' 77' ' ' GLN . 4.4 mt -80.05 -179.98 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 60.030000000000001 109.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -120.31 -175.17 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 74.200000000000003 109.268 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.23 -36.06 82.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 44.43 109.276 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -61.41 -39.5 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 74.340000000000003 109.328 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.886 ' HG2' HD22 ' A' ' 73' ' ' LEU . 35.4 tp60 -87.08 119.08 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 110.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.13 140.95 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 75.299999999999997 109.306 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -141.21 134.5 29.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 75.540000000000006 111.071 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.502 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.8 m-85 -142.98 129.29 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 53.43 110.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -94.58 118.63 31.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.436 1.085 . . . . 70.099999999999994 109.279 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.662 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -95.41 117.03 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.292 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.866 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.6 t -86.27 112.24 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.256 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.1 m-20 69.24 11.77 8.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 73.329999999999998 109.309 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.56 6.53 50.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 61.149999999999999 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 20.3 p80 -127.47 130.01 48.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 74.019999999999996 109.604 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.561 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.36 172.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 72.540000000000006 110.014 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.443 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -120.54 42.24 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.077 . . . . 73.310000000000002 111.067 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.564 HG12 ' OE1' ' A' ' 117' ' ' GLU . 3.2 m -39.8 -30.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 109.336 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.4 m -117.74 104.46 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 43.149999999999999 109.964 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.677 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -108.43 87.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.14 . . . . 73.430000000000007 109.314 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.0 t -124.31 18.39 9.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.577 HG23 ' HD2' ' A' ' 94' ' ' PRO . 21.9 m -131.01 144.59 54.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 72.010000000000005 110.378 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -75.02 142.74 28.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.517 1.799 . . . . 74.200000000000003 110.97 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.922 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -51.31 -22.62 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 74.510000000000005 109.268 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.9 p -68.2 -41.01 82.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 109.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 28.6 mm-40 -82.97 -53.57 5.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 110.242 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.551 HG23 HG22 ' A' ' 93' ' ' THR . 5.1 t -42.85 -34.96 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 73.030000000000001 109.331 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.687 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -78.45 -39.35 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 73.420000000000002 111.025 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.9 pt-20 -78.05 -4.17 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.239999999999995 110.348 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.46 5.36 14.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 63.149999999999999 110.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ARG . 6.4 mm-40 -136.56 -53.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 75.099999999999994 110.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -35.66 152.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 73.510000000000005 110.327 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -108.67 -175.04 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 52.109999999999999 109.297 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -49.99 -29.82 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 74.25 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.898 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 72.310000000000002 109.321 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.37 14.28 36.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 33.439999999999998 111.041 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.79 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.7 OUTLIER -111.82 129.25 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 0.757 . . . . 73.310000000000002 111.076 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.687 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.49 135.66 37.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.458 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.5 m-85 -117.25 107.7 14.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 75.439999999999998 111.035 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.866 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.6 mtt -132.96 135.0 45.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 64.010000000000005 111.008 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.9 t -106.67 135.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.255 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 5.9 p90 -111.4 153.67 25.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 73.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.599 ' C ' HD12 ' A' ' 44' ' ' LEU . . . -163.55 177.94 8.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 24.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.406 ' N ' HD12 ' A' ' 44' ' ' LEU . 8.1 p -89.9 19.9 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 63.340000000000003 110.015 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -150.03 150.07 31.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 70.450000000000003 110.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.569 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 2.6 tt0 -123.97 -1.74 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 54.409999999999997 110.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.3 p -135.59 56.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 61.450000000000003 110.45 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -94.2 -34.17 13.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 75.129999999999995 111.044 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.133 . . . . 75.540000000000006 111.017 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 11.5 mtt . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.464 0.173 . . . . 62.229999999999997 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 12.1 t -41.67 -55.5 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 65.519999999999996 110.051 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -79.64 55.27 4.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.388 1.055 . . . . 43.009999999999998 111.005 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -92.19 56.32 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.03 -0.828 . . . . 53.43 111.03 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -118.09 60.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 71.129999999999995 109.351 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -42.92 -52.11 5.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 73.319999999999993 109.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -153.9 154.76 34.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 74.409999999999997 109.26 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.798 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.5 m0 -91.32 -152.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 73.140000000000001 107.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -96.32 160.03 14.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.25 110.373 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.32 125.37 53.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 75.310000000000002 109.581 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.932 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -92.14 92.73 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 73.230000000000004 109.27 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -86.02 130.85 34.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.114 . . . . 62.219999999999999 109.945 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.19 5.92 35.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 53.030000000000001 109.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -98.82 -23.18 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 71.409999999999997 109.299 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -87.11 -0.64 56.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 61.520000000000003 110.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.61 HG12 HD13 ' A' ' 66' ' ' ILE . 3.7 m -76.52 -179.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.339 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 64.450000000000003 109.244 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.944 -0.391 . . . . 54.43 109.944 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ptp -138.26 158.86 70.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.030000000000001 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.537 1.809 . . . . 72.219999999999999 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -173.13 159.01 3.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 60.340000000000003 110.002 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -152.87 150.08 28.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 71.450000000000003 110.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt -54.68 -170.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 65.129999999999995 109.34 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLN . 10.7 p -124.34 156.77 36.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 52.200000000000003 110.37 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.719 ' CZ ' HG21 ' A' ' 50' ' ' THR . 16.7 m-85 -44.84 -24.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 75.299999999999997 110.915 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 16' ' ' ARG . 18.4 ptpt -73.41 -43.04 61.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 74.230000000000004 109.329 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.5 mt-30 -91.18 -64.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 60.229999999999997 110.367 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 6' ' ' THR . 25.9 tpt180 -45.19 -75.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 63.539999999999999 110.256 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 8.6 mpt_? -57.75 124.8 20.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 70.400000000000006 110.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -65.15 123.2 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 61.509999999999998 109.961 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.646 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.2 t80 -39.85 -57.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 71.109999999999999 110.947 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 32.5 mt-10 -55.64 -35.55 66.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 72.439999999999998 110.311 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' SER . 50.0 tt0 -66.95 -41.48 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 75.040000000000006 110.331 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.631 ' NH1' ' CE1' ' A' ' 110' ' ' TYR . 59.4 mtm180 -66.44 -60.41 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 73.109999999999999 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 106' ' ' ASP . 3.7 p -48.21 -57.1 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 72.239999999999995 109.337 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.549 ' H ' HG13 ' A' ' 17' ' ' VAL . 49.9 tt0 -41.11 -28.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 74.549999999999997 110.356 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' VAL . 3.7 t70 -74.53 -55.27 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 51.310000000000002 109.234 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.921 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.21 -42.69 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 71.230000000000004 109.291 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 55.7 ttt-85 -45.09 -34.05 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 73.349999999999994 110.303 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.37 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 64.329999999999998 109.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.926 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -53.95 -24.55 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -32.34 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.040000000000006 110.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -100.66 -13.16 18.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 75.540000000000006 110.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -97.77 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 74.230000000000004 110.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -118.22 79.72 14.98 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.540000000000006 109.588 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -24.52 12.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.477 1.777 . . . . 74.040000000000006 110.979 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.4 p -83.2 8.34 13.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 72.209999999999994 110.39 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -126.94 158.64 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 74.25 109.251 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 99' ' ' TYR . 10.1 mm -107.04 120.61 47.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 63.340000000000003 109.322 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.05 127.28 10.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 60.009999999999998 110.956 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -132.43 156.12 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 41.310000000000002 109.312 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.3 mm -129.71 97.13 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 63.119999999999997 109.322 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.3 mt -91.76 132.3 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 64.400000000000006 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' HG3' ' CE1' ' A' ' 7' ' ' PHE . 10.7 mm-40 -140.53 140.18 35.18 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.571 1.169 . . . . 73.349999999999994 110.321 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.96 140.9 35.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 110.237 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -60.88 140.66 57.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 54.109999999999999 110.986 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.8 ptmt -57.86 95.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 73.549999999999997 109.234 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 113.03 18.18 7.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 74.450000000000003 111.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -86.14 116.03 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.797 . . . . 62.140000000000001 110.325 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 1.4 pptp? -119.25 -40.35 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 64.400000000000006 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.41 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 34.8 mt-30 -45.32 -84.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 65.430000000000007 110.286 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 115' ' ' SER . 6.6 mt -55.37 151.03 20.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 109.321 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.34 31.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.545 1.813 . . . . 72.019999999999996 111.036 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.1 t -77.99 119.38 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 71.25 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.736 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.81 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 70.209999999999994 109.234 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.581 ' H ' HD13 ' A' ' 47' ' ' LEU . 71.7 m-20 -71.85 -38.18 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 65.120000000000005 109.316 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' CE ' ' HB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -130.12 -177.16 4.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 64.030000000000001 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.719 HG21 ' CZ ' ' A' ' 7' ' ' PHE . 29.1 m -112.97 -33.9 5.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.073 . . . . 64.230000000000004 110.425 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.593 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.3 OUTLIER -113.77 147.27 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 74.5 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 51' ' ' LYS . 3.3 m-85 -140.22 146.42 38.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 64.540000000000006 110.967 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.926 HD21 HG12 ' A' ' 23' ' ' ILE . 25.3 mt -100.93 103.14 14.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 70.040000000000006 109.264 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.719 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.5 p -92.52 142.53 25.98 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 54.109999999999999 109.288 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.96 123.7 8.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.52 1.8 . . . . 72.209999999999994 111.025 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.2 p-10 -77.62 56.6 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 73.209999999999994 109.273 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.497 ' ND1' HG13 ' A' ' 58' ' ' VAL . 7.5 p80 -159.23 29.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 74.420000000000002 109.638 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG13 ' ND1' ' A' ' 57' ' ' HIS . 25.9 m -145.9 -164.82 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 63.399999999999999 109.341 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.46 154.73 26.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 54.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.612 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.6 ppp? -52.75 -25.15 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 72.030000000000001 111.029 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.645 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -51.5 69.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 60.520000000000003 110.009 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' OE2' HG11 ' B' ' 346' ' ' VAL . 40.0 mm-40 -42.27 -57.36 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 65.319999999999993 110.363 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.618 HD12 HG12 ' A' ' 67' ' ' ILE . 3.5 tp -40.16 -47.56 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.084 . . . . 75.349999999999994 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 64' ' ' ILE . 6.5 mm -51.13 -62.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 62.299999999999997 109.311 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 9.3 mtmm -52.97 -32.36 45.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 65.209999999999994 109.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.648 ' CG2' HD22 ' B' ' 341' ' ' LEU . 4.5 mt -73.24 -27.26 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 63.229999999999997 109.29 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.618 HG12 HD12 ' A' ' 63' ' ' LEU . 17.1 mm -80.69 -69.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 74.109999999999999 109.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.54 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 0.6 OUTLIER -45.15 -25.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 75.109999999999999 110.372 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' HA ' ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -73.11 -40.48 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 73.230000000000004 110.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -67.61 -45.32 75.8 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.459 1.099 . . . . 71.150000000000006 110.357 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.736 HD21 HD22 ' A' ' 47' ' ' LEU . 4.6 mt -68.8 -8.58 44.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.177 . . . . 72.230000000000004 109.227 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.0 pt20 39.07 56.01 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 73.519999999999996 110.283 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.783 HD22 ' HG2' ' A' ' 77' ' ' GLN . 6.7 mt -88.43 -179.4 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 60.030000000000001 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -117.02 -174.99 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 74.200000000000003 109.323 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.61 58.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 44.43 109.274 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -81.34 -16.99 50.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.199 . . . . 74.340000000000003 109.329 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.783 ' HG2' HD22 ' A' ' 73' ' ' LEU . 35.0 tp60 -98.86 117.39 33.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 75.299999999999997 110.252 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.32 130.0 34.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.299999999999997 109.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.2 t80 -134.06 135.5 43.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 75.540000000000006 111.013 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.529 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 20.0 m-85 -143.3 123.82 14.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 53.43 111.012 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -90.0 110.09 21.09 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.468 1.105 . . . . 70.099999999999994 109.309 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.531 HD13 ' CA ' ' A' ' 87' ' ' SER . 2.3 mm? -83.89 112.93 20.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.231 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.65 HG22 ' SD ' ' A' ' 111' ' ' MET . 24.9 t -83.11 109.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.296 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.7 m-20 67.4 15.76 9.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.398 1.061 . . . . 73.329999999999998 109.354 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.67 7.25 55.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 61.149999999999999 111.023 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 22.9 p80 -128.03 127.7 43.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 74.019999999999996 109.566 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.531 ' CA ' HD13 ' A' ' 82' ' ' LEU . 1.7 p -57.71 172.02 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.587 1.18 . . . . 72.540000000000006 110.005 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.456 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -120.92 42.17 3.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 73.310000000000002 111.022 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.738 HG12 ' OE2' ' A' ' 117' ' ' GLU . 3.2 m -39.5 -30.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 72.209999999999994 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.5 t -121.09 106.16 11.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 43.149999999999999 110.011 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.645 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -107.78 93.91 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 73.430000000000007 109.295 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.08 14.72 5.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 74.420000000000002 110.008 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.484 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 87.7 m -127.26 143.46 47.24 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 72.010000000000005 110.398 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.02 140.13 25.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 74.200000000000003 110.98 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.551 HD13 HG21 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -48.99 -29.08 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 74.510000000000005 109.379 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 t -59.96 -40.54 89.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 110.007 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 100' ' ' GLU . 81.1 mt-10 -84.27 -53.12 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 74.430000000000007 110.23 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 7.2 t -42.65 -34.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 73.030000000000001 109.339 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.675 ' CD2' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -78.47 -41.1 33.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 73.420000000000002 111.024 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.3 pt-20 -77.3 -4.18 43.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 110.366 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -115.39 5.33 14.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.149999999999999 110.0 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 4.2 mm-40 -134.61 -53.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 75.099999999999994 110.338 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -36.4 153.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 73.510000000000005 110.289 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -114.55 -175.47 2.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 52.109999999999999 109.318 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ASP . 88.1 mt-10 -42.49 -53.58 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.182 . . . . 74.25 110.26 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.911 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -40.3 -52.04 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 72.310000000000002 109.27 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.921 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 100.63 31.28 5.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.445 1.091 . . . . 33.439999999999998 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -130.73 133.65 46.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 73.310000000000002 110.959 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.662 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.19 136.33 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 71.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.631 ' CE1' ' NH1' ' A' ' 16' ' ' ARG . 90.6 m-85 -122.78 107.61 12.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 110.928 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.65 ' SD ' HG22 ' A' ' 83' ' ' VAL . 2.9 mtt -132.36 147.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 64.010000000000005 110.941 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.7 t -116.31 145.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 73.329999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.558 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.6 p90 -120.49 157.9 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 73.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.557 ' C ' HD12 ' A' ' 44' ' ' LEU . . . -177.8 177.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 24.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.605 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -92.65 29.82 1.68 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 63.340000000000003 110.029 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 119' ' ' PHE . 3.4 pt20 -149.74 131.13 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 70.450000000000003 110.37 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.738 ' OE2' HG12 ' A' ' 89' ' ' VAL . 3.4 tt0 -114.44 -9.9 12.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 54.409999999999997 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 57.1 p -128.19 73.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 61.450000000000003 110.427 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.41 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 33.4 p90 -107.95 -34.94 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 75.129999999999995 110.925 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 75.540000000000006 111.016 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 9.6 mtt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.48 0.181 . . . . 62.229999999999997 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 51.9 p -141.97 135.53 29.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 65.519999999999996 110.022 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -49.23 112.4 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 43.009999999999998 110.994 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.62 108.27 2.63 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.068 -0.813 . . . . 53.43 111.068 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.79 67.53 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 71.129999999999995 109.308 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -63.92 -27.44 69.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 73.319999999999993 109.274 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -131.44 109.75 10.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 74.409999999999997 109.247 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.871 ' CE2' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -61.81 -154.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 73.140000000000001 107.977 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.427 ' HB ' ' CE ' ' A' ' 49' ' ' LYS . 3.2 t -95.1 145.34 25.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.25 110.349 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 123.74 38.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 75.310000000000002 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.648 HD22 ' CG2' ' A' ' 66' ' ' ILE . 9.7 mt -90.77 121.84 32.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 73.230000000000004 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.55 128.32 55.11 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 62.219999999999999 109.983 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.5 12.84 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 53.030000000000001 109.995 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -26.61 12.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 71.409999999999997 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -81.27 -0.51 41.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 61.520000000000003 110.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.484 HG12 HG12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -79.72 159.02 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 73.120000000000005 109.267 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 64.450000000000003 109.377 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.021 -0.362 . . . . 54.43 110.021 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mmt 59.41 161.61 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 74.030000000000001 111.0 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -72.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 72.219999999999999 111.046 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -77.28 139.82 39.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 60.340000000000003 110.017 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -159.58 169.85 22.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 71.450000000000003 110.395 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -72.31 169.8 15.48 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.534 1.146 . . . . 65.129999999999995 109.219 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.58 HG23 ' HG2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -109.35 151.12 27.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 52.200000000000003 110.386 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.545 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 13.7 m-85 -47.97 -22.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 75.299999999999997 110.936 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' A' ' 6' ' ' THR . 8.3 ptmt -81.6 -36.85 28.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.8 mm100 -87.97 -63.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 60.229999999999997 110.308 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' GLN . 46.5 tpt85 -37.04 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 63.539999999999999 110.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 7.5 mpt_? -38.55 144.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 70.400000000000006 110.345 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLN . 3.6 m -71.29 111.14 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 61.509999999999998 109.991 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.4 t80 -37.73 -60.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 1.18 . . . . 71.109999999999999 111.045 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -44.98 -39.89 5.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 72.439999999999998 110.314 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.2 tp-100 -67.18 -58.24 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 75.040000000000006 110.286 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 20' ' ' VAL . 7.9 mmp_? -48.66 -38.04 20.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 106' ' ' ASP . 97.5 t -75.06 -38.37 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 72.239999999999995 109.343 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -58.34 -48.26 81.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 74.549999999999997 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' OD2' ' CD ' ' A' ' 51' ' ' LYS . 9.7 t70 -60.41 -40.03 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 51.310000000000002 109.328 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.529 HG23 ' CD2' ' A' ' 108' ' ' PHE . 14.2 t -56.75 -32.45 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 71.230000000000004 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -61.39 -50.16 74.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 73.349999999999994 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -55.33 -56.51 19.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 64.329999999999998 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.597 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -60.37 -30.34 46.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 73.030000000000001 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.7 mmm180 -69.1 -33.06 72.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 74.040000000000006 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.44 -4.94 27.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 75.540000000000006 110.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' LEU . 31.0 mt-30 -106.47 -62.32 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 74.230000000000004 110.32 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CG ' HD13 ' A' ' 53' ' ' LEU . 26.8 m-70 -117.82 80.12 13.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 109.558 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.98 -29.05 8.67 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 74.040000000000006 110.993 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.0 p -89.85 26.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 72.209999999999994 110.415 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -133.05 147.37 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.25 109.302 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.513 HG23 ' CD1' ' A' ' 99' ' ' TYR . 38.9 mm -94.94 113.73 61.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 63.340000000000003 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.574 ' HD2' ' CE1' ' A' ' 99' ' ' TYR . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 60.009999999999998 110.993 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.62 151.12 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 41.310000000000002 109.322 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.2 mm -124.01 95.57 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 63.119999999999997 109.284 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.503 HD12 ' CD2' ' A' ' 52' ' ' PHE . 9.0 mt -96.2 121.95 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 64.400000000000006 109.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.875 ' OE1' HG22 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -124.11 179.95 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 73.349999999999994 110.33 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -83.06 140.62 32.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 73.239999999999995 110.282 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.522 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 22.9 t80 -63.75 154.07 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 54.109999999999999 110.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 23.1 mtmm -75.87 95.02 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 73.549999999999997 109.275 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.51 21.02 6.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 74.450000000000003 110.979 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 5.3 tm-20 -116.76 103.76 10.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 62.140000000000001 110.33 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 -18.87 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 64.400000000000006 109.347 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -49.33 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 65.430000000000007 110.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.6 mt -54.67 151.96 13.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.366 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 165.54 31.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.536 1.809 . . . . 72.019999999999996 110.983 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.8 t -76.56 117.18 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 71.25 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.757 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.26 145.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 70.209999999999994 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.623 ' H ' HD13 ' A' ' 47' ' ' LEU . 6.0 t0 -49.61 -46.63 49.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 65.120000000000005 109.31 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -138.17 -173.74 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 64.030000000000001 109.299 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.2 m -115.8 -34.1 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 64.230000000000004 110.342 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 17.1 mtmm -93.94 127.09 39.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 74.5 109.337 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CD2' HD12 ' A' ' 35' ' ' ILE . 86.6 m-85 -132.38 134.02 44.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 64.540000000000006 110.966 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' A' ' 27' ' ' HIS . 17.9 mt -99.22 104.14 16.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 70.040000000000006 109.362 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -85.1 141.44 37.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 54.109999999999999 109.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.11 121.98 6.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 72.209999999999994 111.034 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -76.91 57.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 73.209999999999994 109.299 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' ND1' HG13 ' A' ' 58' ' ' VAL . 13.8 p80 -161.19 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 74.420000000000002 109.573 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.495 HG13 ' ND1' ' A' ' 57' ' ' HIS . 13.5 m -148.69 -160.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 63.399999999999999 109.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -118.7 159.69 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 54.0 109.299 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.655 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.5 ppp? -55.74 -23.23 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 110.961 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.641 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -59.16 -55.35 36.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 60.520000000000003 109.983 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 23.1 mt-10 -43.09 -52.4 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 65.319999999999993 110.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.808 HD12 HD11 ' A' ' 95' ' ' ILE . 0.8 OUTLIER -41.8 -44.31 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 75.349999999999994 109.356 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 64' ' ' ILE . 7.0 mm -54.7 -52.09 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 62.299999999999997 109.249 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -60.07 -33.58 72.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 65.209999999999994 109.337 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.821 HD13 ' CG1' ' B' ' 346' ' ' VAL . 2.8 mm -67.42 -38.09 80.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 63.229999999999997 109.373 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 63' ' ' LEU . 13.8 mm -70.37 -68.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.342 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 9.3 ptm180 -38.94 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 75.109999999999999 110.331 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmp_? -67.92 -51.24 50.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 110.265 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -62.31 -23.28 66.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 71.150000000000006 110.332 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.757 HD21 HD22 ' A' ' 47' ' ' LEU . 28.4 mt -92.37 -3.75 54.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 72.230000000000004 109.299 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.536 ' C ' ' O ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER 27.51 47.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 73.519999999999996 110.308 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.866 HD22 ' HG2' ' A' ' 77' ' ' GLN . 2.0 mt -79.58 -173.67 3.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 60.030000000000001 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -130.34 177.05 7.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 74.200000000000003 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.6 -19.56 65.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 44.43 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -76.88 -33.66 57.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 74.340000000000003 109.289 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.866 ' HG2' HD22 ' A' ' 73' ' ' LEU . 50.2 tp60 -93.69 112.58 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 75.299999999999997 110.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.74 137.12 36.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 75.299999999999997 109.259 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -138.14 134.74 34.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 75.540000000000006 110.992 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 20.3 m-85 -143.31 132.02 22.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 53.43 111.041 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.45 109.61 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 70.099999999999994 109.295 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 82' ' ' LEU . 2.7 mm? -84.84 104.98 15.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 74.120000000000005 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.655 HG21 ' CE ' ' A' ' 60' ' ' MET . 29.6 t -77.09 111.1 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.8 OUTLIER 65.55 10.88 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 73.329999999999998 109.301 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.51 11.19 36.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 61.149999999999999 111.071 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.623 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.9 p80 -130.39 135.96 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 74.019999999999996 109.572 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 171.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.540000000000006 109.988 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.488 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -131.73 31.97 4.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 73.310000000000002 110.995 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.33 -16.22 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 72.209999999999994 109.306 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' SER . 1.5 m -104.99 22.62 14.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 43.149999999999999 109.928 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.641 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -39.98 97.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 73.430000000000007 109.342 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.7 m -131.6 11.9 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 109.972 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.576 HG23 ' HD2' ' A' ' 94' ' ' PRO . 30.2 m -129.35 144.51 53.09 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 72.010000000000005 110.456 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 139.07 24.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 74.200000000000003 111.022 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.808 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -46.66 -28.51 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 74.510000000000005 109.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.4 p -62.37 -43.67 98.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 73.109999999999999 110.0 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 35.8 mt-10 -79.58 -55.34 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.561 HG23 HG22 ' A' ' 93' ' ' THR . 22.4 t -43.0 -29.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 73.030000000000001 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HA ' HD21 ' A' ' 109' ' ' LEU . 37.6 t80 -72.84 -48.75 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 73.420000000000002 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 3.0 pt-20 -81.28 -3.67 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 74.239999999999995 110.28 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -110.97 1.83 17.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 63.149999999999999 109.96 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 66.0 mm-40 -132.94 -49.03 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 75.099999999999994 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.91 156.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 73.510000000000005 110.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.34 -175.2 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.072 . . . . 52.109999999999999 109.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -48.32 -27.56 2.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 74.25 110.294 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.717 ' HA ' HG22 ' A' ' 17' ' ' VAL . 1.5 p30 -67.09 -45.87 75.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 72.310000000000002 109.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.412 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . 101.04 6.8 51.36 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.548 1.155 . . . . 33.439999999999998 111.013 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.776 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -107.62 133.05 52.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.806 . . . . 73.310000000000002 111.026 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.59 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.17 144.97 35.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 71.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 90.1 m-85 -131.21 122.43 26.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.439999999999998 110.993 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.461 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.7 mtt -145.05 145.73 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 64.010000000000005 111.019 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.875 HG22 ' OE1' ' A' ' 36' ' ' GLU . 7.1 t -113.38 141.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.266 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.4 p90 -119.5 146.55 45.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.456 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.51 178.58 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 24.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.488 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.6 t -89.94 23.64 2.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 63.340000000000003 110.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.9 tp60 -150.02 142.66 24.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 70.450000000000003 110.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 3.8 tt0 -122.0 -3.19 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 54.409999999999997 110.32 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 67.4 p -137.27 67.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 61.450000000000003 110.363 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -99.23 -34.47 10.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.166 . . . . 75.129999999999995 110.989 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 75.540000000000006 110.982 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 51.9 mmm . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.455 0.169 . . . . 62.229999999999997 111.047 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 30.6 m -61.13 87.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 65.519999999999996 110.056 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 167.43 78.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 43.009999999999998 111.029 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' B' ' 335' ' ' ASP . . . -140.33 166.64 25.73 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.028 -0.829 . . . . 53.43 111.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' B' ' 334' ' ' GLY . 7.5 m-20 39.29 52.04 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 71.129999999999995 109.323 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . 0.413 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 1.7 p-10 -59.2 -38.54 80.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.319999999999993 109.289 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -135.49 136.82 41.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 74.409999999999997 109.309 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.776 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 2.3 m0 -88.15 -152.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.546 1.154 . . . . 73.140000000000001 107.978 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 4.9 m -89.8 156.52 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 75.25 110.442 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.87 112.04 24.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.416 1.073 . . . . 75.310000000000002 109.633 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.564 HD13 ' CG2' ' A' ' 66' ' ' ILE . 3.7 mt -92.53 109.56 20.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 73.230000000000004 109.246 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.498 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 9.2 m -117.42 146.43 43.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 62.219999999999999 109.976 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.5 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -89.03 6.26 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 53.030000000000001 110.013 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.417 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -102.49 -20.46 14.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 71.409999999999997 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -94.84 -0.56 53.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 61.520000000000003 110.269 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.821 ' CG1' HD13 ' A' ' 66' ' ' ILE . 9.8 m -76.88 -172.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 73.120000000000005 109.262 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . 0.411 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 5.6 t70 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.417 1.073 . . . . 64.450000000000003 109.34 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.975 -0.38 . . . . 54.43 109.975 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtp -138.89 95.46 9.65 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 74.030000000000001 110.982 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 95.1 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.428 1.752 . . . . 72.219999999999999 111.054 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -50.93 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 60.340000000000003 110.015 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.07 124.54 18.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 71.450000000000003 110.286 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -69.48 164.23 23.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 65.129999999999995 109.252 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 9' ' ' GLN . 15.2 p -91.4 147.22 23.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 52.200000000000003 110.352 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' HG2' ' A' ' 36' ' ' GLU . 35.9 m-85 -44.01 -24.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 75.299999999999997 110.986 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -80.5 -42.28 22.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 109.336 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -81.45 -61.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 60.229999999999997 110.305 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' GLN . 24.4 tpt180 -37.17 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 63.539999999999999 110.348 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -49.66 145.47 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 70.400000000000006 110.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.4 126.9 31.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 61.509999999999998 109.982 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.5 t80 -52.26 -45.66 65.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 71.109999999999999 110.996 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -19.26 63.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 72.439999999999998 110.251 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -90.32 -40.64 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 75.040000000000006 110.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.646 ' NH2' ' CE1' ' A' ' 110' ' ' TYR . 28.3 mmm-85 -71.85 -28.52 63.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 73.109999999999999 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.889 HG22 ' HA ' ' A' ' 106' ' ' ASP . 49.3 t -73.91 -48.1 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 72.239999999999995 109.357 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 39.4 tt0 -62.84 -51.64 66.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 74.549999999999997 110.251 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -44.54 -36.44 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 51.310000000000002 109.287 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.674 HG23 ' CE2' ' A' ' 108' ' ' PHE . 2.7 t -69.87 -44.3 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 71.230000000000004 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' GLU . 41.8 ttt180 -38.88 -42.94 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 73.349999999999994 110.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.2 OUTLIER -58.69 -67.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 64.329999999999998 109.208 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.722 HD11 HD11 ' A' ' 53' ' ' LEU . 1.1 tp -50.49 -24.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 73.030000000000001 109.315 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -34.93 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 74.040000000000006 110.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.8 -4.75 32.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 110.318 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' LEU . 50.9 mt-30 -110.63 -57.22 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 74.230000000000004 110.337 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 9.8 m-70 -117.13 80.98 12.32 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.622 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.88 5.92 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.477 1.777 . . . . 74.040000000000006 110.996 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 p -90.27 28.86 1.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 72.209999999999994 110.445 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 31.3 mmtt -135.11 144.76 47.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 74.25 109.226 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 10.4 mm -100.83 116.15 64.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 63.340000000000003 109.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.545 ' HB3' ' CZ3' ' B' ' 338' ' ' TRP . 17.9 Cg_endo -75.05 139.48 24.2 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 60.009999999999998 110.938 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.86 160.73 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 41.310000000000002 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.552 HG12 ' CD1' ' A' ' 108' ' ' PHE . 6.5 mm -134.9 96.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 63.119999999999997 109.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.807 HD13 HD11 ' A' ' 67' ' ' ILE . 6.7 mt -95.42 131.99 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 64.400000000000006 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.511 ' HG2' ' CG ' ' A' ' 7' ' ' PHE . 3.9 mp0 -132.48 167.63 19.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 110.263 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 -75.62 133.47 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.239999999999995 110.251 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -58.89 140.88 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 54.109999999999999 111.023 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.588 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.1 ptmt -56.62 97.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 73.549999999999997 109.291 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.37 15.63 9.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.113 . . . . 74.450000000000003 111.028 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -93.72 108.96 20.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 62.140000000000001 110.292 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.97 -39.75 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 64.400000000000006 109.319 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.406 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 30.6 mm-40 -44.71 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 65.430000000000007 110.264 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -54.97 148.2 29.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 168.43 24.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 72.019999999999996 111.013 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.7 t -83.59 121.8 36.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 71.25 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.648 HD22 ' CG ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -45.65 150.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 70.209999999999994 109.296 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' H ' HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -57.11 -33.92 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 65.120000000000005 109.251 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 -176.07 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 64.030000000000001 109.328 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 35' ' ' ILE . 2.8 m -111.34 -40.24 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 64.230000000000004 110.381 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.517 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 12.0 mtmm -71.81 127.01 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 74.5 109.275 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CD2' HD12 ' A' ' 35' ' ' ILE . 68.8 m-85 -138.96 128.36 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 64.540000000000006 111.02 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.722 HD11 HD11 ' A' ' 23' ' ' ILE . 1.7 mt -94.85 104.19 16.09 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.539 1.149 . . . . 70.040000000000006 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.857 HG11 HD13 ' A' ' 95' ' ' ILE . 2.4 t -93.22 141.64 24.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 54.109999999999999 109.328 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.566 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -74.96 137.62 22.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 72.209999999999994 111.014 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 4.6 p-10 -88.79 43.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 73.209999999999994 109.234 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.936 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.99 17.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.394 1.059 . . . . 74.420000000000002 109.554 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.936 HG13 ' ND1' ' A' ' 57' ' ' HIS . 19.8 m -136.34 -163.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 63.399999999999999 109.288 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.462 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -113.56 166.11 11.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 54.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.682 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.0 ppp? -58.63 -31.18 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 72.030000000000001 111.033 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.884 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.1 t -54.25 -50.69 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 60.520000000000003 109.971 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.5 mm-40 -42.01 -53.87 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 65.319999999999993 110.311 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.766 HD12 HD11 ' A' ' 95' ' ' ILE . 0.4 OUTLIER -39.41 -52.79 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 75.349999999999994 109.273 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 61' ' ' SER . 3.2 mt -57.96 -56.44 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 62.299999999999997 109.319 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 39.7 mtpt -45.35 -26.44 0.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 65.209999999999994 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.987 HG21 HD13 ' B' ' 341' ' ' LEU . 2.8 mm -84.34 -49.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 63.229999999999997 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.807 HD11 HD13 ' A' ' 35' ' ' ILE . 19.8 mm -45.9 -68.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 74.109999999999999 109.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -45.55 -45.71 13.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 75.109999999999999 110.267 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.591 HH21 ' HB3' ' B' ' 347' ' ' ASP . 3.9 mpt_? -55.45 -35.17 65.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 73.230000000000004 110.313 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -48.49 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 71.150000000000006 110.222 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.648 ' CG ' HD22 ' A' ' 47' ' ' LEU . 81.8 mt -69.33 -8.61 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.230000000000004 109.267 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.2 pt20 45.74 49.73 11.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 110.307 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.1 mt -70.53 167.86 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 60.030000000000001 109.344 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -78.2 175.03 10.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 74.200000000000003 109.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.06 -1.17 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 44.43 109.312 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 -111.7 -32.57 6.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 74.340000000000003 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.512 ' NE2' ' H ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -45.67 145.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 75.299999999999997 110.271 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -114.03 133.88 55.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 75.299999999999997 109.266 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.761 ' CZ ' HG21 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -150.71 145.02 25.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 75.540000000000006 110.973 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 77.0 m-85 -143.85 123.05 12.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 53.43 111.034 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 111' ' ' MET . 0.2 OUTLIER -89.12 113.35 24.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 70.099999999999994 109.297 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -91.66 117.07 29.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 74.120000000000005 109.309 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.878 HG22 ' SD ' ' A' ' 111' ' ' MET . 3.7 t -84.67 105.75 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 75.329999999999998 109.268 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.76 15.31 3.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 73.329999999999998 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.17 1.79 58.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.571 1.17 . . . . 61.149999999999999 110.964 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.507 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.2 p80 -122.61 137.11 55.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.778 . . . . 74.019999999999996 109.654 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.489 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -57.39 172.16 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 72.540000000000006 109.992 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.409 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -113.36 29.28 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 111.008 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.515 ' O ' ' CB ' ' A' ' 90' ' ' SER . 12.4 p -50.79 128.01 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 72.209999999999994 109.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 2.0 m 86.36 18.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 43.149999999999999 109.994 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.654 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -37.95 102.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.430000000000007 109.267 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 t -138.26 22.2 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 74.420000000000002 110.018 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 94' ' ' PRO . 8.4 m -128.8 145.32 55.87 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 72.010000000000005 110.408 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.0 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 74.200000000000003 111.03 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.857 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.62 -22.77 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.313 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.476 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 15.6 p -67.39 -39.44 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 73.109999999999999 109.934 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' SER . 44.8 mt-10 -85.64 -53.4 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 74.430000000000007 110.233 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.642 HG23 HG22 ' A' ' 93' ' ' THR . 3.2 t -42.86 -32.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 73.030000000000001 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 103' ' ' ARG . 5.5 t80 -78.73 -50.33 11.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.420000000000002 110.965 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.66 -4.73 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.239999999999995 110.307 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 m -109.56 -5.93 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 63.149999999999999 109.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.535 ' HB2' HD21 ' A' ' 109' ' ' LEU . 33.9 mm-40 -127.44 -59.25 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 75.099999999999994 110.279 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 1.7 ppt_? -38.47 155.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 73.510000000000005 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -109.14 -177.22 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 52.109999999999999 109.322 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -50.19 -23.18 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.25 110.254 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.889 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -59.65 -47.23 86.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 72.310000000000002 109.341 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.433 ' N ' ' OD2' ' A' ' 106' ' ' ASP . . . 99.46 13.07 39.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 33.439999999999998 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.2 OUTLIER -120.31 128.67 53.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 73.310000000000002 111.012 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.0 mt -80.7 143.35 33.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 71.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.646 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 97.1 m-85 -121.27 107.7 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 75.439999999999998 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.878 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.5 mtt -128.69 138.91 52.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 64.010000000000005 111.04 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -114.86 121.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 109.316 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 2.5 p90 -105.26 154.96 19.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 73.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -176.82 178.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 24.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.6 t -87.73 34.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 63.340000000000003 110.023 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.46 ' OE1' ' CZ ' ' A' ' 38' ' ' TYR . 2.9 pt20 -150.36 124.95 9.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 70.450000000000003 110.338 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.521 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 9.8 tt0 -107.86 -7.05 16.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 54.409999999999997 110.331 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 71.9 p -138.39 74.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 61.450000000000003 110.359 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.407 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 37.9 p90 -97.25 -31.11 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.129999999999995 111.012 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.408 1.068 . . . . 75.540000000000006 110.993 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.513 0.197 . . . . 62.229999999999997 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 2.6 p -95.47 170.82 9.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 65.519999999999996 109.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -94.33 -68.69 1.06 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 43.009999999999998 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 56.75 47.05 88.56 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.83 . . . . 53.43 111.024 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 42.7 p-10 -108.49 58.01 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.776 . . . . 71.129999999999995 109.327 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -68.83 -18.72 64.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 73.319999999999993 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -158.38 132.31 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 74.409999999999997 109.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.746 ' CH2' ' CE1' ' A' ' 108' ' ' PHE . 7.1 m0 -71.79 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.01 -1.108 . . . . 73.140000000000001 108.01 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 1.3 m -91.27 155.31 18.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 75.25 110.389 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . 0.416 ' C ' HD22 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -102.28 126.95 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 75.310000000000002 109.636 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.987 HD13 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -97.8 84.24 3.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 73.230000000000004 109.308 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.455 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.8 OUTLIER -89.6 123.49 33.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 62.219999999999999 109.945 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.464 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.0 OUTLIER -86.26 12.6 9.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 53.030000000000001 110.0 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.455 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -98.19 -32.09 11.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 71.409999999999997 109.313 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -81.84 -0.72 44.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.165 . . . . 61.520000000000003 110.269 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.51 ' CG1' HD13 ' A' ' 66' ' ' ILE . 2.7 m -86.51 -165.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 73.120000000000005 109.386 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . 0.591 ' HB3' HH21 ' A' ' 69' ' ' ARG . 2.9 t0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 64.450000000000003 109.296 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.401 ' C ' ' SD ' ' A' ' 1' ' ' MET . 95.3 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.003 -0.369 . . . . 54.43 110.003 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' SD ' ' C ' ' A' ' 0' ' ' SER . 1.3 mpt? 44.45 95.65 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 74.030000000000001 111.025 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 86.49 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 72.219999999999999 111.056 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -160.57 -178.83 7.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 60.340000000000003 110.021 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.96 154.46 48.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 71.450000000000003 110.303 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HD2' ' CB ' ' A' ' 9' ' ' GLN . 25.3 mmtm -53.44 -173.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 65.129999999999995 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' ARG . 4.8 p -123.27 155.21 37.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 52.200000000000003 110.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.777 ' CE1' ' CD1' ' A' ' 110' ' ' TYR . 8.0 p90 -45.37 -25.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 110.982 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 3.3 ptmm? -77.03 -42.17 39.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 109.28 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 18.6 mm-40 -90.16 -66.41 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 60.229999999999997 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' THR . 43.0 tpt85 -45.24 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 63.539999999999999 110.286 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HG2' ' NH1' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -62.01 150.21 38.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 70.400000000000006 110.264 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.66 133.89 37.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 61.509999999999998 110.002 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.779 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.9 t80 -59.6 -39.29 83.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.461 1.101 . . . . 71.109999999999999 111.04 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.498 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 25.9 mt-10 -69.41 -12.87 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 72.439999999999998 110.273 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -84.86 -50.16 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 75.040000000000006 110.301 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' NH1' ' HG2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -63.49 -48.64 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.347 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 106' ' ' ASP . 8.4 p -60.49 -23.6 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 72.239999999999995 109.299 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -85.74 -17.79 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 74.549999999999997 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -81.72 -45.52 15.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 51.310000000000002 109.285 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.883 HG11 ' O ' ' A' ' 107' ' ' GLY . 35.3 m -58.46 -50.21 79.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 71.230000000000004 109.266 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 20' ' ' VAL . 33.1 ttt180 -35.4 -36.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 73.349999999999994 110.288 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' VAL . 1.8 mt -64.73 -58.09 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 64.329999999999998 109.272 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.797 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -61.77 -22.81 29.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 73.030000000000001 109.33 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -70.25 -28.0 64.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.27 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.97 -25.79 13.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.367 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.58 -54.81 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.230000000000004 110.3 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.521 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 19.0 m-70 -117.22 79.84 11.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.540000000000006 109.616 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -32.72 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 74.040000000000006 111.003 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.7 p -88.76 30.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 110.338 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -137.95 156.3 48.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 74.25 109.225 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' A' ' 99' ' ' TYR . 9.6 mm -109.42 117.79 52.18 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.571 1.169 . . . . 63.340000000000003 109.28 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.6 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -74.98 135.26 18.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.463 1.77 . . . . 60.009999999999998 110.977 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.409 ' HB ' ' HE3' ' A' ' 111' ' ' MET . 2.1 m -143.63 158.39 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 41.310000000000002 109.257 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.668 HG23 HG22 ' A' ' 50' ' ' THR . 3.1 mm -124.75 95.75 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 63.119999999999997 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.43 HD13 HD11 ' A' ' 67' ' ' ILE . 21.8 mt -95.45 121.51 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 64.400000000000006 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.595 ' OE1' ' CE2' ' A' ' 7' ' ' PHE . 1.5 mp0 -129.28 179.07 5.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 73.349999999999994 110.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -87.22 139.36 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 73.239999999999995 110.291 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.14 143.1 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 54.109999999999999 111.016 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 14.3 ptmt -55.65 91.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 73.549999999999997 109.302 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' TYR . . . 112.7 21.58 6.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 74.450000000000003 110.99 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -87.15 108.59 18.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 62.140000000000001 110.275 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -112.41 -31.11 6.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 64.400000000000006 109.256 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -53.58 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.172 . . . . 65.430000000000007 110.389 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.663 HD12 HD13 ' A' ' 71' ' ' LEU . 2.0 mm? -56.21 145.31 57.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 74.319999999999993 109.302 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.65 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.99 175.48 11.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 72.019999999999996 110.949 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.0 t -76.19 109.55 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 71.25 109.251 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD22 HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -40.46 146.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 70.209999999999994 109.276 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.57 ' H ' HD13 ' A' ' 47' ' ' LEU . 4.0 m-20 -42.29 -35.27 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 65.120000000000005 109.229 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HD3' HH21 ' A' ' 70' ' ' ARG . 0.0 OUTLIER -165.52 -166.33 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 64.030000000000001 109.33 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.668 HG22 HG23 ' A' ' 34' ' ' ILE . 4.2 m -113.15 -22.09 10.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.230000000000004 110.407 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 5.1 mtmm -95.77 128.86 43.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 74.5 109.319 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.618 ' HA ' HG22 ' B' ' 339' ' ' THR . 84.3 m-85 -140.37 133.58 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 64.540000000000006 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.556 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 5.9 mt -98.01 103.29 15.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 70.040000000000006 109.326 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.728 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -90.07 142.39 28.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 54.109999999999999 109.26 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.61 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.4 Cg_endo -75.06 127.75 10.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 72.209999999999994 110.93 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -78.12 1.88 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 73.209999999999994 109.386 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' CD2' HG12 ' A' ' 58' ' ' VAL . 8.9 p-80 -95.57 -11.64 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 109.586 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.567 HG12 ' CD2' ' A' ' 57' ' ' HIS . 1.6 m -112.83 -173.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 63.399999999999999 109.339 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -109.19 172.48 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 54.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.683 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -61.45 -25.72 67.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.030000000000001 111.008 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.664 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -57.19 14.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 60.520000000000003 110.04 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE2' ' CB ' ' B' ' 343' ' ' SER . 4.8 mt-10 -42.06 -52.39 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 65.319999999999993 110.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.601 HD12 HG12 ' A' ' 67' ' ' ILE . 3.0 tp -42.81 -42.65 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 75.349999999999994 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.07 -58.42 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 62.299999999999997 109.269 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 45.6 mttt -54.81 -36.42 64.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 65.209999999999994 109.36 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.576 HG12 HG12 ' B' ' 346' ' ' VAL . 12.7 mt -69.5 -32.38 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 63.229999999999997 109.252 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 16.3 mm -73.36 -67.51 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 74.109999999999999 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.692 HH21 ' HB3' ' B' ' 347' ' ' ASP . 25.6 ptt180 -41.78 -42.07 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 75.109999999999999 110.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -42.62 98.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 73.230000000000004 110.268 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.559 HH21 ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -61.79 -41.15 97.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 71.150000000000006 110.28 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.691 HD21 HD22 ' A' ' 47' ' ' LEU . 40.1 mt -73.53 -13.91 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 72.230000000000004 109.31 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 40.39 49.49 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 73.519999999999996 110.288 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.888 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.2 mt -84.25 -176.25 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 60.030000000000001 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -117.0 -174.87 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 74.200000000000003 109.304 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.02 -23.96 60.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 44.43 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -74.84 -28.32 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 74.340000000000003 109.333 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.888 ' HG2' HD22 ' A' ' 73' ' ' LEU . 29.5 tp60 -92.6 118.98 31.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 75.299999999999997 110.251 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -88.81 137.8 31.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 75.299999999999997 109.291 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -135.71 133.31 37.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.540000000000006 111.033 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.538 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.8 m-85 -143.35 125.12 15.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 53.43 110.998 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -91.58 115.1 27.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 70.099999999999994 109.273 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 116' ' ' GLN . 3.1 mm? -90.29 106.99 18.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.344 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.676 HG21 ' CE ' ' A' ' 60' ' ' MET . 3.1 t -77.7 111.32 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 75.329999999999998 109.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.412 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 1.8 m-20 67.2 9.76 7.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 109.256 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 10.45 37.36 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.472 1.108 . . . . 61.149999999999999 111.001 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.642 ' CE1' HG12 ' A' ' 83' ' ' VAL . 23.6 p80 -130.62 139.64 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 74.019999999999996 109.591 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.0 OUTLIER -58.05 172.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 72.540000000000006 110.032 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.483 ' O ' HG12 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -130.83 30.41 4.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 110.991 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.458 ' CG2' ' OE1' ' A' ' 117' ' ' GLU . 89.7 t -56.15 -18.5 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 72.209999999999994 109.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' SER . 32.5 t -104.72 27.12 8.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 43.149999999999999 110.041 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.683 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -45.61 94.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.430000000000007 109.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' SER . 0.3 OUTLIER -129.37 9.1 5.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.420000000000002 110.003 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.73 HG22 HG23 ' A' ' 98' ' ' VAL . 15.8 m -124.8 145.23 49.13 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 72.010000000000005 110.44 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.92 140.91 26.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.759 . . . . 74.200000000000003 111.046 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.728 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -49.89 -22.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 74.510000000000005 109.364 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.461 ' CB ' ' OD1' ' A' ' 56' ' ' ASP . 61.8 p -68.82 -39.96 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 73.109999999999999 109.976 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 101' ' ' SER . 20.6 mm-40 -86.4 -53.46 4.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 74.430000000000007 110.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.73 HG23 HG22 ' A' ' 93' ' ' THR . 3.3 t -41.9 -29.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 73.030000000000001 109.256 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HB2' HG21 ' A' ' 31' ' ' ILE . 30.3 t80 -76.58 -57.66 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.420000000000002 110.975 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -70.71 -4.36 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 110.327 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -108.73 -5.0 16.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 63.149999999999999 109.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.594 ' HB2' HD21 ' A' ' 109' ' ' LEU . 7.3 mm-40 -130.25 -58.93 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 75.099999999999994 110.307 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.62 152.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 73.510000000000005 110.305 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.448 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -92.82 169.39 10.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 52.109999999999999 109.282 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -44.2 -41.33 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.427 1.079 . . . . 74.25 110.246 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.954 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.7 p-10 -40.65 -44.67 2.2 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 72.310000000000002 109.319 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.883 ' O ' HG11 ' A' ' 20' ' ' VAL . . . 100.67 44.1 2.18 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 33.439999999999998 110.943 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -149.81 131.87 15.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 0.782 . . . . 73.310000000000002 110.997 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.601 HD13 ' HE3' ' A' ' 111' ' ' MET . 2.3 mt -79.49 148.71 31.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 71.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.777 ' CD1' ' CE1' ' A' ' 7' ' ' PHE . 76.6 m-85 -135.05 106.8 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 75.439999999999998 110.991 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.601 ' HE3' HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -128.39 144.01 51.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 64.010000000000005 110.977 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -109.59 135.62 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 73.329999999999998 109.352 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.6 p90 -113.98 142.49 46.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 73.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -161.51 178.44 9.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 24.0 109.247 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.451 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -90.48 30.27 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 63.340000000000003 110.023 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.523 ' O ' HD21 ' A' ' 82' ' ' LEU . 4.8 mt-30 -149.24 137.71 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 70.450000000000003 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 2.4 tt0 -119.39 -7.02 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 54.409999999999997 110.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.3 p -120.59 6.81 10.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 61.450000000000003 110.403 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 120' ' ' GLY . 24.9 p90 -37.74 -42.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.129999999999995 110.973 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.514 1.134 . . . . 75.540000000000006 111.003 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.515 0.197 . . . . 62.229999999999997 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 53.7 p -118.11 88.85 3.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 65.519999999999996 109.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 98.22 154.5 29.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 43.009999999999998 110.95 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -62.72 -73.13 0.56 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.984 -0.847 . . . . 53.43 110.984 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -83.86 66.11 8.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 71.129999999999995 109.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -55.07 -52.23 63.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 73.319999999999993 109.339 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . 0.423 ' N ' ' OD2' ' B' ' 337' ' ' ASP . 0.2 OUTLIER -143.18 160.68 39.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 109.288 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.797 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -96.63 -154.39 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 108.024 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -91.01 155.17 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.25 110.418 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . 0.45 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -104.25 126.56 51.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 75.310000000000002 109.57 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.556 ' HB3' HG21 ' A' ' 66' ' ' ILE . 4.7 mt -107.43 106.0 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.230000000000004 109.337 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.496 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 25.7 m -109.32 164.06 12.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 62.219999999999999 109.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.794 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.9 p -90.98 -8.52 48.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 53.030000000000001 110.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.473 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.9 -22.66 25.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 71.409999999999997 109.249 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -85.75 -6.42 59.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 61.520000000000003 110.286 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.794 HG22 ' O ' ' B' ' 343' ' ' SER . 17.2 m -63.5 -175.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 73.120000000000005 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . 0.692 ' HB3' HH21 ' A' ' 68' ' ' ARG . 7.7 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 64.450000000000003 109.331 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.994 -0.372 . . . . 54.43 109.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt -115.68 94.17 39.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 74.030000000000001 110.953 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -169.3 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.472 1.775 . . . . 72.219999999999999 110.948 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -79.53 -176.89 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 60.340000000000003 109.981 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -87.88 158.11 18.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 71.450000000000003 110.26 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -71.08 160.18 33.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.162 . . . . 65.129999999999995 109.28 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' LYS . 13.9 p -92.42 145.4 24.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 52.200000000000003 110.428 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 36' ' ' GLU . 96.9 m-85 -38.04 -29.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.544 1.153 . . . . 75.299999999999997 110.943 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' THR . 13.8 ptpt -76.38 -53.35 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.230000000000004 109.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 6' ' ' THR . 5.3 mm100 -69.11 -65.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 60.229999999999997 110.266 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -38.64 -70.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 63.539999999999999 110.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.03 119.57 17.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 70.400000000000006 110.253 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.22 129.58 28.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 61.509999999999998 109.943 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.019 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -46.42 -62.55 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 71.109999999999999 111.053 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 17' ' ' VAL . 1.5 pt-20 -52.14 -21.07 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 72.439999999999998 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -85.28 -28.88 25.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 75.040000000000006 110.312 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.725 ' NH2' HG21 ' A' ' 34' ' ' ILE . 7.4 ttt180 -89.28 -21.61 23.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 73.109999999999999 110.341 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.019 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.1 m -75.63 -37.59 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 72.239999999999995 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.44 -52.91 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 74.549999999999997 110.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -43.81 -53.12 6.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 51.310000000000002 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.833 HG23 ' CE2' ' A' ' 108' ' ' PHE . 2.3 t -47.34 -45.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 71.230000000000004 109.287 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -44.36 -38.24 3.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 73.349999999999994 110.334 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' GLU . 3.0 mt -71.4 -59.26 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 64.329999999999998 109.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.775 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -48.99 -25.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 73.030000000000001 109.252 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.427 HH21 ' HB3' ' A' ' 28' ' ' PRO . 7.6 mmm-85 -77.3 -35.93 54.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 74.040000000000006 110.262 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -89.83 -12.06 40.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 75.540000000000006 110.344 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.532 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 47.6 mt-30 -108.95 -20.59 12.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 35.3 m-70 -158.92 74.07 3.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 74.540000000000006 109.587 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HB3' HH21 ' A' ' 24' ' ' ARG . 18.5 Cg_endo -74.97 -28.47 9.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.566 1.824 . . . . 74.040000000000006 111.015 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 p -89.31 20.4 3.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 72.209999999999994 110.378 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 24.4 mmtt -127.57 148.28 50.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 74.25 109.37 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.634 HG23 ' CD2' ' A' ' 99' ' ' TYR . 17.8 mm -97.95 114.92 65.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 63.340000000000003 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 137.48 21.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 60.009999999999998 110.982 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.4 m -141.04 161.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 41.310000000000002 109.352 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.725 HG21 ' NH2' ' A' ' 16' ' ' ARG . 5.3 mm -135.11 95.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 63.119999999999997 109.329 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 50' ' ' THR . 14.8 mt -92.9 126.37 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.56 ' HG2' ' CD1' ' A' ' 7' ' ' PHE . 4.7 mp0 -123.4 173.1 8.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 73.349999999999994 110.27 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -83.55 133.24 34.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.239999999999995 110.251 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -57.62 137.88 55.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 54.109999999999999 110.985 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 15.1 ptmt -60.04 96.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 73.549999999999997 109.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.07 19.61 8.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.455 1.097 . . . . 74.450000000000003 111.017 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 8.6 tp10 -111.67 105.18 13.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 62.140000000000001 110.232 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 -33.85 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 64.400000000000006 109.318 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -38.69 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 65.430000000000007 110.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD11 ' CA ' ' A' ' 115' ' ' SER . 5.8 mt -54.79 151.7 14.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 74.319999999999993 109.328 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 166.9 28.24 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 72.019999999999996 111.068 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.5 113.85 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 71.25 109.305 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.52 146.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 70.209999999999994 109.315 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.581 ' H ' HD13 ' A' ' 47' ' ' LEU . 9.1 t0 -47.94 -37.68 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HZ3' ' CG ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -154.54 -175.28 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 64.030000000000001 109.291 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 35' ' ' ILE . 11.8 m -114.09 -16.82 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 64.230000000000004 110.384 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.541 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 16.1 mtmm -102.73 131.26 49.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.5 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.68 ' HA ' HG22 ' B' ' 339' ' ' THR . 34.6 m-85 -140.5 143.3 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 64.540000000000006 110.976 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.532 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 9.9 mt -106.54 104.59 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 70.040000000000006 109.284 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.694 HG11 HD13 ' A' ' 95' ' ' ILE . 2.7 t -87.36 141.1 32.29 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 54.109999999999999 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.51 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 18.5 Cg_endo -75.0 128.85 11.81 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.415 1.745 . . . . 72.209999999999994 111.019 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -83.4 51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 73.209999999999994 109.321 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.4 p80 -155.95 25.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 109.655 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 m -144.25 -159.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 63.399999999999999 109.342 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -122.55 152.15 40.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 54.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.622 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -43.64 -25.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.030000000000001 110.984 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.662 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.64 -56.94 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 60.520000000000003 110.026 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' ' 62' ' ' GLU . 10.2 mm-40 -41.99 -49.23 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 65.319999999999993 110.293 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.467 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -44.11 -47.07 8.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 75.349999999999994 109.312 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 64' ' ' ILE . 4.9 mm -60.92 -50.29 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 62.299999999999997 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -49.67 -38.08 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 65.209999999999994 109.301 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.951 HG21 HD13 ' B' ' 341' ' ' LEU . 2.7 mm -71.36 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 63.229999999999997 109.346 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.743 HD11 HD13 ' A' ' 35' ' ' ILE . 20.6 mm -41.7 -68.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 74.109999999999999 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 11.3 ptm180 -43.99 -44.15 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 110.362 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HG3' HG12 ' B' ' 346' ' ' VAL . 0.8 OUTLIER -61.27 -35.86 78.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 73.230000000000004 110.235 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' ILE . 1.2 mmp_? -67.93 -46.55 71.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 71.150000000000006 110.277 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.46 -13.71 61.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.230000000000004 109.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 41.14 45.14 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 73.519999999999996 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.862 HD22 ' HG2' ' A' ' 77' ' ' GLN . 4.6 mt -77.0 -176.09 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 60.030000000000001 109.276 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -108.96 -174.94 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.389 1.055 . . . . 74.200000000000003 109.26 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.19 -14.92 58.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 44.43 109.316 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.13 -24.62 24.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.294 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.862 ' HG2' HD22 ' A' ' 73' ' ' LEU . 30.6 tp60 -87.74 120.6 29.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 75.299999999999997 110.404 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.538 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -88.41 139.41 30.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 75.299999999999997 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.697 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.1 t80 -139.94 134.63 31.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 75.540000000000006 111.02 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.5 m-85 -143.38 128.74 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 53.43 111.026 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -94.03 109.62 21.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 70.099999999999994 109.253 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.515 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.8 mm? -84.07 111.84 19.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 74.120000000000005 109.3 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.846 HG22 ' SD ' ' A' ' 111' ' ' MET . 18.3 t -81.42 111.66 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 75.329999999999998 109.279 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 0.7 OUTLIER 66.36 11.25 7.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 73.329999999999998 109.351 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.39 8.02 41.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 61.149999999999999 110.946 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.604 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.4 p80 -128.42 130.06 47.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 0.806 . . . . 74.019999999999996 109.581 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.471 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.62 172.15 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 72.540000000000006 110.001 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.448 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -121.97 39.59 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 73.310000000000002 110.99 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.616 HG22 ' OE2' ' A' ' 117' ' ' GLU . 20.9 t -39.53 -30.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 72.209999999999994 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' MET . 11.8 p -116.15 102.45 9.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 43.149999999999999 110.08 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.662 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -106.91 88.46 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 73.430000000000007 109.266 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -125.94 14.34 7.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 74.420000000000002 110.047 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.711 HG22 HG23 ' A' ' 98' ' ' VAL . 27.9 m -124.66 144.33 46.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 72.010000000000005 110.394 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.94 141.18 26.51 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.528 1.804 . . . . 74.200000000000003 111.04 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.694 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -51.68 -22.69 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 74.510000000000005 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.5 p -69.26 -37.9 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 73.109999999999999 109.983 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' GLU . 29.8 mm-40 -86.54 -51.99 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 74.430000000000007 110.23 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.711 HG23 HG22 ' A' ' 93' ' ' THR . 23.7 t -44.88 -34.73 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.030000000000001 109.334 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.748 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -81.19 -34.07 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 pt-20 -79.04 -3.98 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 m -116.74 1.78 12.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 63.149999999999999 109.925 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 103' ' ' ARG . 5.7 mm-40 -130.24 -50.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.612 1.195 . . . . 75.099999999999994 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 2.5 ppt_? -36.67 154.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 73.510000000000005 110.305 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.73 -175.68 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 52.109999999999999 109.267 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -39.53 -56.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.423 1.077 . . . . 74.25 110.318 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.861 ' HB3' HG12 ' A' ' 17' ' ' VAL . 19.2 p-10 -47.14 -46.45 23.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 100.69 21.76 12.07 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.54 1.15 . . . . 33.439999999999998 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.833 ' CE2' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -111.0 131.03 55.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 0.827 . . . . 73.310000000000002 111.047 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.748 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.74 133.54 37.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 71.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.66 ' CE1' ' NH2' ' A' ' 16' ' ' ARG . 91.8 m-85 -114.86 107.26 15.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 75.439999999999998 111.041 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.846 ' SD ' HG22 ' A' ' 83' ' ' VAL . 2.7 mtt -134.64 146.29 49.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 64.010000000000005 110.981 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.8 t -115.06 142.82 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 73.329999999999998 109.318 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.534 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.5 p90 -115.97 152.78 32.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 73.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.492 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -161.95 178.05 9.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 24.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.542 ' CA ' HD11 ' A' ' 44' ' ' LEU . 27.5 t -92.13 20.23 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 63.340000000000003 109.985 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -150.23 150.2 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 70.450000000000003 110.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.616 ' OE2' HG22 ' A' ' 89' ' ' VAL . 2.6 tt0 -124.33 -1.66 8.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 54.409999999999997 110.321 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.4 p -134.85 54.3 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 61.450000000000003 110.322 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -97.59 -22.07 16.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.129999999999995 110.971 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.523 1.139 . . . . 75.540000000000006 111.005 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.517 0.198 . . . . 62.229999999999997 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 11.5 t -50.09 -35.29 24.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 65.519999999999996 109.994 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 158.17 65.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 43.009999999999998 111.048 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 153.11 174.65 23.69 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.025 -0.83 . . . . 53.43 111.025 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.447 ' OD1' ' CE ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -101.3 76.66 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 71.129999999999995 109.389 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . 0.404 ' O ' ' OE1' ' A' ' 26' ' ' GLN . 11.0 t70 -40.91 -69.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.319999999999993 109.344 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . 0.401 ' N ' ' OD2' ' B' ' 337' ' ' ASP . 13.3 p-10 -139.81 136.61 34.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 74.409999999999997 109.309 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.775 ' NE1' HD13 ' A' ' 23' ' ' ILE . 19.3 m0 -68.24 -77.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 73.140000000000001 107.966 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -160.66 -177.22 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.18 . . . . 75.25 110.402 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . 0.542 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -130.45 113.98 14.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 75.310000000000002 109.552 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.951 HD13 HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -86.56 85.99 7.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 73.230000000000004 109.342 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.447 ' HB3' ' CD ' ' B' ' 344' ' ' LYS . 0.7 OUTLIER -91.41 124.19 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 62.219999999999999 110.018 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.848 ' O ' HG22 ' B' ' 346' ' ' VAL . 1.3 p -82.02 0.03 42.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 53.030000000000001 109.997 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.447 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -86.1 -35.47 20.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 71.409999999999997 109.246 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.69 -4.09 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 61.520000000000003 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.848 HG22 ' O ' ' B' ' 343' ' ' SER . 2.7 m -99.63 -170.62 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 73.120000000000005 109.339 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 39.3 t0 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 64.450000000000003 109.362 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.001 -0.37 . . . . 54.43 110.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.08 165.36 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 74.030000000000001 111.014 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -59.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 72.219999999999999 111.066 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -39.99 158.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 60.340000000000003 110.066 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LYS . 6.9 pt-20 -124.81 159.06 31.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 71.450000000000003 110.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' GLU . 15.4 mtpt -53.38 -173.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 65.129999999999995 109.251 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.78 HG22 ' HD3' ' A' ' 39' ' ' LYS . 65.2 p -121.93 155.05 36.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 52.200000000000003 110.407 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 36' ' ' GLU . 55.8 m-85 -45.4 -24.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 75.299999999999997 111.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 16.8 ptpt -77.49 -41.88 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 74.230000000000004 109.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' THR . 65.8 mt-30 -88.64 -63.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 60.229999999999997 110.326 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.2 tpt85 -38.87 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 63.539999999999999 110.268 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.1 137.58 58.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.538 1.149 . . . . 70.400000000000006 110.332 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 15' ' ' GLN . 52.3 m -64.81 116.82 6.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.476 1.11 . . . . 61.509999999999998 109.934 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.987 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.4 t80 -41.43 -58.52 1.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 71.109999999999999 110.993 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -50.63 -34.41 26.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 110.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' SER . 5.4 tp-100 -75.01 -36.93 61.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 75.040000000000006 110.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -16.16 59.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 73.109999999999999 110.261 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 13' ' ' PHE . 46.0 t -79.37 -60.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 72.239999999999995 109.343 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.98 -31.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 74.549999999999997 110.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.486 ' OD1' ' CE ' ' A' ' 51' ' ' LYS . 4.4 t0 -57.41 -65.13 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 51.310000000000002 109.308 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.6 -46.65 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 71.230000000000004 109.282 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -44.64 -37.33 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 73.349999999999994 110.337 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 22' ' ' LEU . 1.5 mt -63.56 -65.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 64.329999999999998 109.324 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.878 HG12 HD21 ' A' ' 53' ' ' LEU . 1.3 mp -57.64 -17.71 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 73.030000000000001 109.294 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -78.4 -33.76 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 74.040000000000006 110.289 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -100.98 -9.76 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 75.540000000000006 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' LEU . 34.6 mt-30 -107.45 -46.0 3.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.230000000000004 110.238 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ILE . 28.7 m-70 -124.85 74.23 64.84 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 74.540000000000006 109.601 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.11 11.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 74.040000000000006 111.02 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.5 p -87.99 17.17 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 72.209999999999994 110.354 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -131.16 163.79 26.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 74.25 109.299 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.625 HG23 ' CG ' ' A' ' 99' ' ' TYR . 22.7 mm -111.17 116.91 50.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 63.340000000000003 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.53 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.02 139.97 24.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 60.009999999999998 110.949 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.53 HG22 ' HB2' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -146.06 162.96 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 41.310000000000002 109.249 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.613 HG22 ' OE2' ' A' ' 36' ' ' GLU . 0.7 OUTLIER -130.65 112.13 21.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 63.119999999999997 109.269 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.648 ' O ' HG23 ' A' ' 50' ' ' THR . 1.7 mm -106.57 134.87 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 64.400000000000006 109.263 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.613 ' OE2' HG22 ' A' ' 34' ' ' ILE . 1.8 pm0 -154.32 158.14 39.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 73.349999999999994 110.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -66.43 149.71 50.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 73.239999999999995 110.308 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -67.11 141.26 57.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 54.109999999999999 111.038 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.78 ' HD3' HG22 ' A' ' 6' ' ' THR . 23.5 mtmt -57.41 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 73.549999999999997 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.64 19.64 6.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 74.450000000000003 110.961 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 9.4 tp10 -111.66 103.89 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 62.140000000000001 110.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -110.98 -28.6 8.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 64.400000000000006 109.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 36.0 mm-40 -38.84 -76.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 65.430000000000007 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD21 ' NE2' ' A' ' 77' ' ' GLN . 5.1 mt -54.94 157.04 6.09 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.612 1.195 . . . . 74.319999999999993 109.267 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 166.48 29.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 72.019999999999996 110.976 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.03 135.97 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.491 1.119 . . . . 71.25 109.306 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.545 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -65.75 140.81 58.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 70.209999999999994 109.301 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.545 ' H ' HD13 ' A' ' 47' ' ' LEU . 29.1 t0 -44.29 -46.19 9.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 65.120000000000005 109.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -144.8 -176.44 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 64.030000000000001 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.648 HG23 ' O ' ' A' ' 35' ' ' ILE . 27.7 m -116.99 -10.08 10.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 64.230000000000004 110.404 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.522 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 12.2 mtmm -113.26 132.62 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 74.5 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.797 ' HB3' HD11 ' B' ' 341' ' ' LEU . 24.1 m-85 -137.13 149.6 47.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 64.540000000000006 110.984 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.878 HD21 HG12 ' A' ' 23' ' ' ILE . 36.9 mt -116.64 104.01 10.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 70.040000000000006 109.331 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.854 HG11 HD13 ' A' ' 95' ' ' ILE . 2.6 t -88.43 141.58 30.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 54.109999999999999 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.545 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.99 124.67 8.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 72.209999999999994 111.04 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 19.2 p-10 -76.43 57.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 73.209999999999994 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.8 p-80 -163.28 29.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 109.624 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 m -147.63 -158.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 63.399999999999999 109.255 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -119.07 154.76 32.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 54.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.554 ' CE ' HG21 ' A' ' 83' ' ' VAL . 1.5 ppp? -52.71 -21.96 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 72.030000000000001 110.976 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -61.7 -35.12 77.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 60.520000000000003 110.024 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.61 -50.59 69.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 65.319999999999993 110.327 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.602 HD12 HG12 ' A' ' 67' ' ' ILE . 6.7 tp -53.57 -36.35 61.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.349999999999994 109.26 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.13 -32.71 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 62.299999999999997 109.308 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -79.2 -39.94 32.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 65.209999999999994 109.251 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.84 HG21 ' HB3' ' B' ' 341' ' ' LEU . 11.9 mm -65.7 -30.53 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.229999999999997 109.247 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.602 HG12 HD12 ' A' ' 63' ' ' LEU . 9.6 mm -72.51 -69.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.109999999999999 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.568 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 13.2 ptm180 -41.52 -36.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 75.109999999999999 110.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 69' ' ' ARG . 4.5 mmm180 -58.17 -46.68 85.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 110.322 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' CD ' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.53 -51.17 70.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 71.150000000000006 110.338 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.478 ' HB3' HD21 ' A' ' 73' ' ' LEU . 8.3 mt -60.39 -16.97 40.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 72.230000000000004 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' LEU . 23.3 pt20 38.57 47.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 73.519999999999996 110.346 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.779 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -83.96 -178.3 6.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 60.030000000000001 109.304 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 4.4 m120 -129.92 -175.02 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 74.200000000000003 109.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.93 90.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 44.43 109.346 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -51.55 -40.22 59.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.316 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.779 ' HG2' HD22 ' A' ' 73' ' ' LEU . 50.5 tp60 -91.68 138.01 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 75.299999999999997 110.287 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.63 127.65 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 75.299999999999997 109.318 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 68' ' ' ARG . 1.1 t80 -116.6 134.55 54.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 75.540000000000006 110.975 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 117' ' ' GLU . 5.9 m-85 -143.41 121.24 11.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 53.43 110.994 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD11 HG13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -92.5 135.94 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 70.099999999999994 109.257 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 81' ' ' LEU . 1.8 mm? -116.3 104.87 11.93 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 74.120000000000005 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.585 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 3.2 t -73.16 108.91 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.509 1.13 . . . . 75.329999999999998 109.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.34 24.04 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 73.329999999999998 109.234 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 86.79 7.83 77.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 61.149999999999999 110.99 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 11.5 p80 -130.22 139.69 50.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 74.019999999999996 109.584 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.421 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 1.0 OUTLIER -57.47 172.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 72.540000000000006 110.113 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.41 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -120.06 19.34 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 73.310000000000002 111.069 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 90' ' ' SER . 7.1 p -40.56 120.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 72.209999999999994 109.334 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 0.5 OUTLIER 84.34 44.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.15 . . . . 43.149999999999999 110.031 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.587 HG13 ' H ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -37.88 -77.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 73.430000000000007 109.3 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.587 ' H ' HG13 ' A' ' 91' ' ' VAL . 0.7 OUTLIER 38.23 30.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 74.420000000000002 109.964 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.691 HG22 HG23 ' A' ' 98' ' ' VAL . 88.1 m -142.11 139.36 17.86 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 72.010000000000005 110.424 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.451 ' HG2' ' CG ' ' A' ' 97' ' ' GLU . 18.3 Cg_endo -74.98 137.95 22.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.464 1.771 . . . . 74.200000000000003 110.986 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.854 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -53.84 -20.69 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 74.510000000000005 109.279 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.0 p -70.7 -37.93 73.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 73.109999999999999 109.976 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.451 ' CG ' ' HG2' ' A' ' 94' ' ' PRO . 54.3 mm-40 -85.56 -47.47 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 74.430000000000007 110.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.691 HG23 HG22 ' A' ' 93' ' ' THR . 7.9 t -52.72 -30.46 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 73.030000000000001 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.751 ' CD2' HD23 ' A' ' 109' ' ' LEU . 5.0 t80 -82.16 -38.1 25.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 73.420000000000002 110.985 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -83.41 -3.94 58.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.239999999999995 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.2 m -112.32 5.83 18.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 63.149999999999999 110.062 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 109' ' ' LEU . 17.3 mm-40 -135.34 -46.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 75.099999999999994 110.328 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.477 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 3.0 ppt_? -37.29 147.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 73.510000000000005 110.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 107' ' ' GLY . 1.2 m-20 -114.81 -174.91 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 52.109999999999999 109.345 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -38.96 -47.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 74.25 110.294 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 8.4 p-10 -49.66 -48.61 49.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 72.310000000000002 109.329 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.668 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 98.83 12.45 43.49 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 33.439999999999998 110.97 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.789 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -114.34 134.34 55.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 73.310000000000002 111.041 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.751 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -77.88 135.58 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 71.0 109.389 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.453 ' CE2' ' OD1' ' A' ' 106' ' ' ASP . 89.5 m-85 -112.78 120.91 43.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 111.004 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.499 ' SD ' HD21 ' A' ' 63' ' ' LEU . 4.2 mtt -130.96 150.29 52.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 64.010000000000005 110.996 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.518 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.9 t -135.27 119.68 26.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 109.28 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 4.1 p90 -100.82 153.25 19.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 73.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -166.96 179.03 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 24.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.2 t -87.66 20.43 2.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 63.340000000000003 109.985 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.567 ' HB3' ' CD1' ' A' ' 119' ' ' PHE . 14.8 mt-30 -149.85 136.43 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.450000000000003 110.248 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 5.2 tt0 -120.7 -5.85 9.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 54.409999999999997 110.348 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 30.3 p -110.31 -26.5 9.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 61.450000000000003 110.365 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 116' ' ' GLN . 0.4 OUTLIER -54.76 -24.73 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 110.958 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.497 ' N ' ' CD1' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 111.017 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 12.1 ptt? . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.424 0.154 . . . . 62.229999999999997 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 27.3 t -99.47 106.41 18.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 65.519999999999996 109.978 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -130.11 8.52 6.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 43.009999999999998 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.47 -165.35 32.4 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.997 -0.841 . . . . 53.43 110.997 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.78 58.9 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 71.129999999999995 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -48.39 -56.76 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 73.319999999999993 109.277 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -141.84 112.47 7.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 109.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.835 ' CE2' HD13 ' A' ' 23' ' ' ILE . 16.5 m0 -46.87 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 73.140000000000001 108.055 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 179.33 124.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 75.25 110.4 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -79.46 118.35 21.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 75.310000000000002 109.583 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.84 ' HB3' HG21 ' A' ' 66' ' ' ILE . 3.6 mt -81.5 116.16 21.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 73.230000000000004 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -108.55 127.38 53.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 62.219999999999999 110.002 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.35 11.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 53.030000000000001 109.99 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.23 -23.01 13.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 71.409999999999997 109.319 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.84 -0.6 55.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 61.520000000000003 110.313 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.557 ' CG1' HD13 ' A' ' 66' ' ' ILE . 4.4 m -76.85 -179.11 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 73.120000000000005 109.284 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 64.450000000000003 109.306 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.01 -0.367 . . . . 54.43 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.8 pmm? -42.18 156.97 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 74.030000000000001 110.992 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -89.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.247 0 O-C-N 124.467 1.772 . . . . 72.219999999999999 111.054 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -66.7 165.68 14.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 60.340000000000003 110.02 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CD ' HH21 ' A' ' 37' ' ' ARG . 11.3 pt-20 -89.58 150.81 22.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.602 1.189 . . . . 71.450000000000003 110.239 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 10' ' ' ARG . 35.2 mmtm -53.97 168.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 65.129999999999995 109.281 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.3 p -109.63 151.06 27.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 52.200000000000003 110.412 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 50' ' ' THR . 22.0 m-85 -47.79 -23.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 75.299999999999997 110.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -37.74 45.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 74.230000000000004 109.353 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -95.47 -66.09 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 60.229999999999997 110.334 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HB2' ' CB ' ' A' ' 5' ' ' LYS . 28.8 tpt180 -38.67 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 63.539999999999999 110.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -50.31 137.53 18.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 70.400000000000006 110.257 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -72.83 128.81 36.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 61.509999999999998 109.944 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.015 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.1 t80 -44.67 -63.98 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 71.109999999999999 110.963 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' VAL . 23.3 mm-40 -53.06 -19.18 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 72.439999999999998 110.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.9 OUTLIER -85.39 -29.28 24.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 75.040000000000006 110.301 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.737 HH21 HG13 ' A' ' 34' ' ' ILE . 15.1 mtp85 -90.42 -21.87 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 73.109999999999999 110.315 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.015 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.2 m -75.15 -39.0 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 72.239999999999995 109.333 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -64.58 -14.8 59.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.549999999999997 110.301 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.47 ' OD2' ' CE ' ' A' ' 51' ' ' LYS . 22.8 t0 -77.81 -59.1 2.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 51.310000000000002 109.272 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.991 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -50.32 -46.77 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.597 1.186 . . . . 71.230000000000004 109.288 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 44.9 ttm-85 -38.29 -30.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 73.349999999999994 110.28 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' VAL . 2.7 mt -72.92 -64.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 64.329999999999998 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.913 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -53.29 -20.75 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 73.030000000000001 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -73.72 -36.06 65.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 74.040000000000006 110.31 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -8.81 22.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.540000000000006 110.287 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -103.45 -54.2 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 110.328 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' ND1' HD13 ' A' ' 53' ' ' LEU . 10.8 m-70 -117.75 80.23 13.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.540000000000006 109.618 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -28.24 9.43 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 74.040000000000006 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -89.73 23.98 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 72.209999999999994 110.39 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -135.76 163.14 30.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 74.25 109.282 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.617 HG23 ' CG ' ' A' ' 99' ' ' TYR . 6.6 mm -116.26 120.38 35.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 63.340000000000003 109.283 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.563 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.502 1.791 . . . . 60.009999999999998 110.978 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -146.35 155.13 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 41.310000000000002 109.28 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.737 HG13 HH21 ' A' ' 16' ' ' ARG . 16.1 mm -128.03 102.31 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 63.119999999999997 109.344 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.991 HD13 HD11 ' A' ' 67' ' ' ILE . 29.2 mt -98.78 126.72 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 64.400000000000006 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.618 ' HG2' HG23 ' A' ' 50' ' ' THR . 6.0 mm-40 -136.76 170.87 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 73.349999999999994 110.285 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.475 HH21 ' CD ' ' A' ' 4' ' ' GLU . 26.0 ptt180 -79.07 142.4 36.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 73.239999999999995 110.343 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.4 t80 -61.92 145.08 53.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 54.109999999999999 111.016 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 2.5 ptpp? -60.0 91.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 73.549999999999997 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.75 20.59 6.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 74.450000000000003 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' OE2' ' N ' ' A' ' 43' ' ' GLN . 5.7 tp10 -111.08 103.91 12.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 62.140000000000001 110.282 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -111.91 -31.15 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 64.400000000000006 109.195 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.446 ' N ' ' OE2' ' A' ' 41' ' ' GLU . 27.8 mm-40 -38.48 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 65.430000000000007 110.246 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.639 HD11 ' N ' ' A' ' 115' ' ' SER . 1.1 mp -55.99 156.52 9.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.347 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.489 ' HD2' HD13 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.06 165.2 31.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 72.019999999999996 110.992 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.2 t -81.68 122.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 71.25 109.288 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.815 HD22 HD21 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -40.09 141.68 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 70.209999999999994 109.321 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.456 ' H ' HD13 ' A' ' 47' ' ' LEU . 13.8 t0 -41.94 -42.76 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 65.120000000000005 109.263 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -147.61 -167.59 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 64.030000000000001 109.299 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.678 HG21 ' CE2' ' A' ' 7' ' ' PHE . 1.8 m -114.36 -28.12 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 64.230000000000004 110.38 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 7.2 mtmm -96.45 129.71 43.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 74.5 109.287 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 60.1 m-85 -140.45 135.25 31.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 64.540000000000006 110.993 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.913 HD21 HG12 ' A' ' 23' ' ' ILE . 37.4 mt -103.0 103.28 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 70.040000000000006 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.775 HG11 HD13 ' A' ' 95' ' ' ILE . 1.9 t -86.03 142.8 36.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 54.109999999999999 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.656 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.03 132.82 15.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.559 1.82 . . . . 72.209999999999994 110.953 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.11 11.79 9.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.321 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.453 ' ND1' HG13 ' A' ' 58' ' ' VAL . 28.7 p80 -106.98 -1.45 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 109.598 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 55' ' ' PRO . 4.7 m -119.86 -161.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 63.399999999999999 109.352 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -123.2 171.43 9.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 54.0 109.264 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.627 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.4 ppp? -61.0 -27.13 68.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 72.030000000000001 111.013 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.693 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -60.56 -57.82 11.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 60.520000000000003 110.074 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.84 -47.96 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 65.319999999999993 110.358 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.854 HD23 HD12 ' B' ' 341' ' ' LEU . 0.6 OUTLIER -48.91 -41.24 33.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 75.349999999999994 109.31 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.45 HD13 HD13 ' A' ' 63' ' ' LEU . 24.6 mm -54.9 -63.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 62.299999999999997 109.291 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -44.69 -38.78 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 65.209999999999994 109.265 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.603 HG21 HD13 ' B' ' 341' ' ' LEU . 1.5 mm -62.76 -58.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 63.229999999999997 109.327 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.991 HD11 HD13 ' A' ' 35' ' ' ILE . 31.8 mm -43.89 -55.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 74.109999999999999 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.521 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.8 mtt180 -42.26 -55.92 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 75.109999999999999 110.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -53.55 -32.13 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 1.072 . . . . 73.230000000000004 110.329 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -71.26 -51.27 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 71.150000000000006 110.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.815 HD21 HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -62.03 -22.55 65.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 72.230000000000004 109.313 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 22.8 pt20 45.04 55.18 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 73.519999999999996 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.674 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -93.71 -172.27 2.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 60.030000000000001 109.212 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -110.41 -174.75 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 74.200000000000003 109.348 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.94 -4.68 55.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 44.43 109.366 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -96.14 -29.81 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 109.303 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.674 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.2 tp60 -80.9 138.67 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 75.299999999999997 110.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.15 143.82 32.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 75.299999999999997 109.346 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.708 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 2.6 t80 -141.91 133.67 27.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 75.540000000000006 111.0 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.499 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 22.4 m-85 -141.98 115.26 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 53.43 111.022 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.624 HD12 HG13 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -84.72 124.34 31.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 70.099999999999994 109.328 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.648 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -100.03 119.1 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 74.120000000000005 109.319 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 86' ' ' HIS . 2.9 t -85.41 106.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 109.244 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 73.42 9.05 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 73.329999999999998 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.61 2.1 37.39 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 61.149999999999999 110.984 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.597 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 19.0 p80 -123.56 129.12 50.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 0.803 . . . . 74.019999999999996 109.583 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.568 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -57.55 172.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 72.540000000000006 109.945 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -115.61 40.83 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.992 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.3 p -38.63 -31.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.209999999999994 109.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.7 t -122.01 102.6 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 43.149999999999999 109.982 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.693 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -105.11 87.82 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 73.430000000000007 109.344 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.5 13.6 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 74.420000000000002 109.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.606 HG22 HG23 ' A' ' 98' ' ' VAL . 29.1 m -125.22 144.48 47.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.010000000000005 110.335 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.94 138.73 23.58 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.48 1.779 . . . . 74.200000000000003 111.062 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.775 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -47.53 -25.72 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 74.510000000000005 109.261 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -64.8 -44.37 90.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 73.109999999999999 110.032 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 101' ' ' SER . 43.6 mt-10 -79.46 -54.88 5.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.430000000000007 110.35 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.606 HG23 HG22 ' A' ' 93' ' ' THR . 18.9 t -41.75 -33.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.030000000000001 109.298 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.617 ' CG ' HG23 ' A' ' 31' ' ' ILE . 2.7 t80 -78.46 -47.4 17.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 73.420000000000002 110.965 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -4.44 33.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.321 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.7 m -114.18 -1.17 13.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 63.149999999999999 110.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.754 ' HB2' HD21 ' A' ' 109' ' ' LEU . 10.5 mm-40 -126.37 -57.32 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 75.099999999999994 110.295 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.44 155.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 73.510000000000005 110.33 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 105' ' ' GLU . 4.0 t0 -111.24 -178.63 3.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 52.109999999999999 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' ASP . 10.1 mt-10 -38.44 -49.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 74.25 110.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.756 ' CB ' HG12 ' A' ' 17' ' ' VAL . 18.4 p-10 -40.0 -51.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 72.310000000000002 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.991 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 100.84 24.68 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 33.439999999999998 111.03 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.783 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -129.88 133.59 46.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 73.310000000000002 111.052 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.7 mt -79.2 148.65 32.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 71.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -134.38 107.13 7.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 75.439999999999998 110.996 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.597 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.3 mtt -122.97 148.63 45.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 64.010000000000005 110.973 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.4 t -120.51 125.96 74.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 73.329999999999998 109.346 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 113' ' ' TYR . 8.1 p90 -106.72 153.67 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 73.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.588 ' HA ' HD13 ' A' ' 44' ' ' LEU . . . -173.14 178.23 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 24.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.639 ' N ' HD11 ' A' ' 44' ' ' LEU . 10.9 t -90.66 31.31 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 63.340000000000003 109.935 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 119' ' ' PHE . 3.6 pt20 -149.9 123.93 9.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 70.450000000000003 110.342 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 5.3 tt0 -107.6 -7.05 16.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 54.409999999999997 110.274 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.5 p -134.14 72.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 61.450000000000003 110.415 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.42 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 43.1 p90 -101.25 -37.88 8.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 75.129999999999995 111.063 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 75.540000000000006 110.985 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.484 0.183 . . . . 62.229999999999997 110.971 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 28.2 m -121.78 133.07 54.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 65.519999999999996 109.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -95.88 107.98 3.61 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 43.009999999999998 110.966 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 141.54 128.9 2.4 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 110.992 -0.843 . . . . 53.43 110.992 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -106.17 37.96 2.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 0.726 . . . . 71.129999999999995 109.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -75.63 -29.96 59.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 109.314 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.3 107.83 10.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.256 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.898 ' CE2' HD13 ' A' ' 23' ' ' ILE . 1.4 m0 -68.26 -153.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 73.140000000000001 107.969 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.83 156.18 16.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 75.25 110.385 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -109.91 130.99 55.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 75.310000000000002 109.574 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.854 HD12 HD23 ' A' ' 63' ' ' LEU . 3.3 mt -98.82 123.8 43.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 73.230000000000004 109.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -124.37 127.1 47.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 62.219999999999999 109.989 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.407 ' HA ' ' CG1' ' B' ' 346' ' ' VAL . 0.0 OUTLIER -87.74 11.86 14.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 53.030000000000001 110.038 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -25.38 13.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 71.409999999999997 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.1 -1.05 57.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 61.520000000000003 110.332 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.407 ' CG1' ' HA ' ' B' ' 343' ' ' SER . 14.9 m -71.64 -173.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 73.120000000000005 109.195 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 37.2 t0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 64.450000000000003 109.339 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.019 -0.363 . . . . 54.43 110.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mmt -124.26 156.55 66.6 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 74.030000000000001 111.02 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -89.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.468 1.773 . . . . 72.219999999999999 111.045 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 4' ' ' GLU . 13.0 t -116.48 -179.24 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 60.340000000000003 109.965 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.6 tt0 -61.97 124.83 21.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 71.450000000000003 110.295 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -69.46 173.34 6.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 65.129999999999995 109.334 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.598 HG23 ' HG2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -104.23 146.9 28.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 52.200000000000003 110.446 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CD2' HG21 ' A' ' 50' ' ' THR . 62.4 m-85 -43.21 -25.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 75.299999999999997 111.009 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.598 ' HG2' HG23 ' A' ' 6' ' ' THR . 13.9 ptmt -78.1 -42.08 33.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 74.230000000000004 109.276 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' THR . 8.1 mm100 -83.2 -61.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 60.229999999999997 110.266 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . 17.0 tpt180 -36.76 -79.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 63.539999999999999 110.306 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HB3' ' CD ' ' A' ' 16' ' ' ARG . 1.1 mpt_? -38.45 133.17 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 70.400000000000006 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' GLN . 4.1 m -70.68 126.42 29.56 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.414 1.071 . . . . 61.509999999999998 109.996 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.81 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -44.87 -44.29 9.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.392 1.057 . . . . 71.109999999999999 110.976 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.85 -34.77 71.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 72.439999999999998 110.238 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' SER . 15.6 mm100 -79.38 -34.04 42.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 75.040000000000006 110.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' CD ' ' HB3' ' A' ' 11' ' ' ARG . 4.5 mmp_? -73.37 -28.16 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 73.109999999999999 110.311 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 13' ' ' PHE . 94.0 t -77.79 -34.92 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 72.239999999999995 109.257 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -79.12 -37.69 38.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 74.549999999999997 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -57.87 -49.4 76.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 51.310000000000002 109.339 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.937 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.5 OUTLIER -68.95 -48.97 67.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 71.230000000000004 109.334 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 62.7 ttt180 -43.66 -26.73 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 73.349999999999994 110.319 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -74.72 -63.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 64.329999999999998 109.317 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.894 HG12 HD21 ' A' ' 53' ' ' LEU . 1.1 mp -51.7 -20.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 73.030000000000001 109.301 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 2.5 mmp_? -67.34 -38.21 84.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 74.040000000000006 110.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' OE2' ' C ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -93.49 -37.4 11.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 75.540000000000006 110.331 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.484 ' C ' ' CD2' ' A' ' 27' ' ' HIS . 49.1 mt-30 -78.12 -22.45 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 74.230000000000004 110.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.484 ' CD2' ' C ' ' A' ' 26' ' ' GLN . 32.1 m-70 -150.77 71.14 8.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 74.540000000000006 109.58 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -25.82 11.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.422 1.748 . . . . 74.040000000000006 110.955 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.2 p -88.12 12.08 14.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 72.209999999999994 110.38 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 7.9 mmtp -125.83 169.31 12.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 74.25 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.562 HG21 ' HB2' ' A' ' 99' ' ' TYR . 7.0 mm -119.69 121.01 30.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 63.340000000000003 109.284 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.4 Cg_endo -74.87 130.16 13.15 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 60.009999999999998 111.004 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 111' ' ' MET . 1.5 m -140.9 159.36 23.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 41.310000000000002 109.279 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.952 HG22 ' OE1' ' A' ' 36' ' ' GLU . 20.4 mm -131.41 118.07 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 63.119999999999997 109.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.847 HD12 HD11 ' A' ' 81' ' ' LEU . 4.1 mm -103.75 127.46 57.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 64.400000000000006 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.952 ' OE1' HG22 ' A' ' 34' ' ' ILE . 2.3 mp0 -133.35 162.19 32.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 73.349999999999994 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -82.09 126.04 31.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 73.239999999999995 110.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.64 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.4 t80 -46.91 140.85 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 54.109999999999999 110.94 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -56.82 97.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 73.549999999999997 109.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CD ' ' A' ' 42' ' ' LYS . . . 112.88 14.65 9.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.14 . . . . 74.450000000000003 111.078 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.575 ' OE1' ' CE1' ' A' ' 113' ' ' TYR . 6.0 tt0 -86.07 122.32 29.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 0.801 . . . . 62.140000000000001 110.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -124.05 -42.84 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 64.400000000000006 109.308 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -42.34 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 65.430000000000007 110.262 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.471 HD12 HD11 ' A' ' 73' ' ' LEU . 2.3 mm? -55.14 144.82 48.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 74.319999999999993 109.28 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.93 167.08 27.86 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 72.019999999999996 110.996 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.57 111.61 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.25 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.63 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.18 148.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 70.209999999999994 109.312 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.63 ' H ' HD13 ' A' ' 47' ' ' LEU . 45.2 t0 -54.36 -43.28 71.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 65.120000000000005 109.351 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.63 ' HE2' HG21 ' B' ' 339' ' ' THR . 0.0 OUTLIER -142.81 -175.19 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 64.030000000000001 109.354 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.916 HG22 HG23 ' A' ' 34' ' ' ILE . 11.0 m -115.08 -32.29 5.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 64.230000000000004 110.375 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.607 ' HA ' HD13 ' A' ' 34' ' ' ILE . 6.5 mtmm -83.69 130.89 34.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 74.5 109.247 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.704 ' HA ' HG22 ' B' ' 339' ' ' THR . 83.4 m-85 -140.43 135.34 31.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 64.540000000000006 111.067 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.894 HD21 HG12 ' A' ' 23' ' ' ILE . 41.1 mt -104.33 104.06 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 70.040000000000006 109.319 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.797 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -87.45 142.27 32.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 54.109999999999999 109.291 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.622 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.04 131.93 14.8 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.494 1.786 . . . . 72.209999999999994 110.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 6.0 p-10 -87.57 44.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.294 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -141.55 15.3 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 109.532 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.19 -164.01 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 63.399999999999999 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -112.22 161.69 16.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 54.0 109.287 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.642 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.1 ppp? -56.53 -20.54 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 110.972 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.649 ' CB ' HG11 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -62.61 -53.47 54.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 60.520000000000003 110.026 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' LYS . 20.5 mm-40 -42.12 -55.78 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 65.319999999999993 110.253 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.951 HD12 HD11 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -40.72 -46.57 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 109.308 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mm -53.38 -47.63 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 62.299999999999997 109.274 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' GLU . 37.4 mttt -62.01 -27.92 69.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 65.209999999999994 109.351 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.691 HG21 HD13 ' B' ' 341' ' ' LEU . 3.5 mm -71.89 -58.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 63.229999999999997 109.284 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.636 ' CG2' ' CZ ' ' A' ' 79' ' ' PHE . 10.5 mm -48.28 -62.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.335 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.575 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 2.9 ptm85 -50.41 -37.31 37.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 75.109999999999999 110.333 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' B' ' 345' ' ' GLU . 11.4 mmm180 -69.09 -27.14 65.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 73.230000000000004 110.344 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.531 ' HD3' ' HZ1' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -78.15 -42.69 30.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 71.150000000000006 110.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.559 HD21 HD22 ' A' ' 47' ' ' LEU . 18.1 mt -70.38 -13.5 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 72.230000000000004 109.255 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.4 pt20 44.96 50.15 9.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.175 . . . . 73.519999999999996 110.329 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.738 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.4 mt -86.94 -174.05 4.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 60.030000000000001 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -123.28 -175.79 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 74.200000000000003 109.241 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.65 -32.22 71.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 44.43 109.303 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -64.34 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 74.340000000000003 109.261 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.738 ' HG2' HD22 ' A' ' 73' ' ' LEU . 41.3 tp60 -87.89 127.12 35.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.299999999999997 110.326 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.09 129.96 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 75.299999999999997 109.295 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.636 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -130.56 136.89 49.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 75.540000000000006 111.032 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 14.3 m-85 -143.52 131.4 21.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 53.43 110.974 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.847 HD11 HD12 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -102.39 118.66 37.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 70.099999999999994 109.279 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 112' ' ' VAL . 0.4 OUTLIER -95.74 101.23 12.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 74.120000000000005 109.333 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.642 HG21 ' CE ' ' A' ' 60' ' ' MET . 3.0 t -66.57 110.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 75.329999999999998 109.329 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.43 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 2.0 m-20 67.08 22.54 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.329999999999998 109.251 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.49 4.99 72.74 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.56 1.162 . . . . 61.149999999999999 111.027 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.9 p80 -124.41 136.71 54.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 74.019999999999996 109.62 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.425 ' HA ' HD12 ' A' ' 82' ' ' LEU . 4.8 p -58.14 172.3 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 72.540000000000006 109.93 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.424 ' HG2' ' HE1' ' A' ' 60' ' ' MET . 0.0 OUTLIER -129.33 15.09 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 73.310000000000002 111.032 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.493 HG21 ' OE1' ' A' ' 117' ' ' GLU . 88.9 t -40.45 122.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 72.209999999999994 109.272 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.4 t 81.97 50.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.101 . . . . 43.149999999999999 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.649 HG11 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -40.39 100.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 73.430000000000007 109.297 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -114.32 24.91 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 74.420000000000002 110.041 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.708 HG22 HG23 ' A' ' 98' ' ' VAL . 43.8 m -157.11 139.36 10.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 72.010000000000005 110.392 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 93' ' ' THR . 18.0 Cg_endo -75.06 147.03 33.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.452 1.764 . . . . 74.200000000000003 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.951 HD11 HD12 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -55.45 -19.3 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 74.510000000000005 109.328 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -33.1 67.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 73.109999999999999 110.025 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 101' ' ' SER . 15.8 mm-40 -93.25 -52.28 4.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 74.430000000000007 110.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.708 HG23 HG22 ' A' ' 93' ' ' THR . 6.6 t -42.74 -29.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 73.030000000000001 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.588 ' HA ' HD11 ' A' ' 109' ' ' LEU . 7.2 t80 -75.73 -58.99 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.627 1.204 . . . . 73.420000000000002 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 1.8 pt-20 -69.48 -6.65 31.89 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 110.265 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' GLU . 10.9 m -106.1 -2.11 23.02 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 1.129 . . . . 63.149999999999999 110.022 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.684 ' HB2' HD21 ' A' ' 109' ' ' LEU . 16.3 mm-40 -131.27 -60.82 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 75.099999999999994 110.288 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.81 146.93 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 73.510000000000005 110.26 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 106' ' ' ASP . 2.0 t0 -100.92 176.8 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 52.109999999999999 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -39.06 -30.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 74.25 110.28 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.602 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -53.6 -51.69 62.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 72.310000000000002 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.937 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 101.16 10.9 40.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.449 1.093 . . . . 33.439999999999998 111.016 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -117.69 127.47 53.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 73.310000000000002 111.068 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 102' ' ' GLU . 4.4 mt -80.27 136.47 36.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 71.0 109.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.461 ' CE1' ' HA ' ' A' ' 8' ' ' LYS . 97.3 m-85 -119.07 107.16 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.981 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.614 ' HB3' HD22 ' A' ' 81' ' ' LEU . 20.0 mtt -115.41 148.07 39.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 64.010000000000005 111.022 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.626 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.4 t -123.85 114.51 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 73.329999999999998 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.581 ' HD2' HG22 ' A' ' 35' ' ' ILE . 4.6 p90 -102.14 161.91 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 73.0 111.053 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.64 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -179.25 179.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 24.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.425 ' OG ' ' NE2' ' A' ' 77' ' ' GLN . 0.1 OUTLIER -87.06 23.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 63.340000000000003 110.014 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -149.67 133.46 16.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 70.450000000000003 110.352 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 5.4 tt0 -116.14 -7.45 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 54.409999999999997 110.362 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 74.4 p -130.96 18.67 5.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 61.450000000000003 110.41 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' A' ' 120' ' ' GLY . 18.7 p90 -41.29 -48.89 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 75.129999999999995 111.045 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.485 ' N ' ' CD2' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.518 1.136 . . . . 75.540000000000006 111.026 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 11.8 mmt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.494 0.188 . . . . 62.229999999999997 110.994 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 67.6 p -47.8 173.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 65.519999999999996 109.977 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -158.97 93.66 0.13 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 43.009999999999998 111.051 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 22' ' ' LEU . . . 138.89 154.12 6.32 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.956 -0.858 . . . . 53.43 110.956 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.94 -68.06 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 71.129999999999995 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . 0.553 ' O ' ' C ' ' B' ' 337' ' ' ASP . 0.1 OUTLIER 164.26 109.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 73.319999999999993 109.363 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' B' ' 336' ' ' ASP . 6.8 p30 -27.34 117.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 74.409999999999997 109.311 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -65.13 -155.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 73.140000000000001 107.945 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.704 HG22 ' HA ' ' A' ' 52' ' ' PHE . 5.4 t -95.82 149.98 20.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 75.25 110.348 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.86 120.97 40.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.412 1.07 . . . . 75.310000000000002 109.63 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.691 HD13 HG21 ' A' ' 66' ' ' ILE . 2.8 mt -94.41 116.36 28.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 73.230000000000004 109.365 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.505 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -113.71 126.09 54.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 62.219999999999999 109.931 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.835 ' O ' HG22 ' B' ' 346' ' ' VAL . 3.9 p -79.95 -2.06 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 53.030000000000001 110.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -29.36 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 71.409999999999997 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . 0.417 ' O ' ' NH2' ' A' ' 69' ' ' ARG . 45.1 mt-10 -77.74 -7.01 55.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 61.520000000000003 110.273 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.835 HG22 ' O ' ' B' ' 343' ' ' SER . 10.3 m -78.86 176.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 109.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 64.450000000000003 109.296 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.049 -0.352 . . . . 54.43 110.049 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -69.87 153.1 95.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 74.030000000000001 111.04 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 0.19 9.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 72.219999999999999 110.95 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -93.39 -176.39 4.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 60.340000000000003 109.98 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -85.81 155.02 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 71.450000000000003 110.323 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -51.59 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 65.129999999999995 109.319 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.9 p -123.52 152.47 41.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 52.200000000000003 110.4 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.652 ' CZ ' HG21 ' A' ' 50' ' ' THR . 26.3 m-85 -46.25 -24.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 75.299999999999997 111.038 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 3.7 ptmm? -77.36 -41.08 41.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 74.230000000000004 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.7 mt-30 -89.45 -62.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 60.229999999999997 110.284 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 6' ' ' THR . 18.4 tpt180 -46.8 -74.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 63.539999999999999 110.264 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -64.33 128.63 36.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 70.400000000000006 110.323 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' GLN . 51.8 m -76.23 123.08 25.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 61.509999999999998 109.999 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.705 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.1 t80 -39.06 -52.55 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 71.109999999999999 110.998 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -47.81 -42.21 25.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 110.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 12' ' ' SER . 31.3 mm100 -65.18 -40.93 94.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 75.040000000000006 110.229 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.564 HH21 ' N ' ' A' ' 13' ' ' PHE . 68.6 mtm180 -69.2 -25.24 64.23 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 110.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.771 HG22 ' CB ' ' A' ' 106' ' ' ASP . 64.6 t -73.22 -45.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 72.239999999999995 109.317 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.62 -49.0 76.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 110.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' OD1' ' NE1' ' B' ' 338' ' ' TRP . 1.9 t70 -48.8 -39.11 24.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 51.310000000000002 109.296 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.25 -36.68 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 71.230000000000004 109.306 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -52.53 -21.6 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 73.349999999999994 110.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -92.82 -63.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 64.329999999999998 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.794 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -49.64 -22.9 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.030000000000001 109.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -76.1 -36.65 58.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 74.040000000000006 110.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' LEU . 3.0 pt-20 -98.44 -4.58 34.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 75.540000000000006 110.283 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' LEU . 36.3 mt-30 -106.4 -53.33 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 74.230000000000004 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -120.94 81.13 34.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 74.540000000000006 109.62 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.88 -35.26 3.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 74.040000000000006 111.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.2 p -89.91 33.11 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 72.209999999999994 110.377 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -138.52 148.34 44.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 74.25 109.28 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.663 HG23 ' CG ' ' A' ' 99' ' ' TYR . 28.0 mm -101.9 113.86 65.72 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.99 136.46 20.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 60.009999999999998 111.03 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -146.39 149.05 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 41.310000000000002 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.0 mm -120.86 95.59 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 63.119999999999997 109.318 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 50' ' ' THR . 58.4 mt -92.19 127.65 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 64.400000000000006 109.322 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' CD ' ' CD1' ' A' ' 7' ' ' PHE . 19.3 mt-10 -127.77 168.53 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 73.349999999999994 110.289 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -79.73 132.24 36.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 73.239999999999995 110.337 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.694 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.8 t80 -58.16 131.45 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 54.109999999999999 110.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 3.8 ptmm? -51.18 102.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 73.549999999999997 109.327 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.34 13.1 12.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 110.972 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.51 103.93 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 62.140000000000001 110.309 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.95 -33.84 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 64.400000000000006 109.274 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 42' ' ' LYS . 18.4 mm-40 -51.35 -73.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 65.430000000000007 110.32 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD11 ' N ' ' A' ' 115' ' ' SER . 3.2 mt -54.83 147.58 31.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 74.319999999999993 109.267 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.461 ' HD2' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 169.94 21.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.555 1.818 . . . . 72.019999999999996 110.954 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.8 t -79.53 131.57 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.25 109.305 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.66 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -61.44 147.79 43.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.329 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.66 ' H ' HD13 ' A' ' 47' ' ' LEU . 2.3 m-20 -46.98 -40.96 15.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 65.120000000000005 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.463 ' HD2' ' CB ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -153.81 -174.11 4.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 64.030000000000001 109.34 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.652 HG21 ' CZ ' ' A' ' 7' ' ' PHE . 24.4 m -112.55 -29.42 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 64.230000000000004 110.4 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' HB3' ' CG ' ' B' ' 338' ' ' TRP . 8.9 mtmm -88.72 123.58 33.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 74.5 109.26 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.657 ' HB3' HD11 ' B' ' 341' ' ' LEU . 94.2 m-85 -132.27 146.2 51.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 64.540000000000006 111.033 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.651 HD21 HG12 ' A' ' 23' ' ' ILE . 59.1 mt -113.84 103.76 11.51 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.59 1.181 . . . . 70.040000000000006 109.31 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.848 HG11 HD13 ' A' ' 95' ' ' ILE . 2.1 t -87.71 142.38 32.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 54.109999999999999 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.634 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.04 133.11 16.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.498 1.789 . . . . 72.209999999999994 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 4.4 p-10 -86.34 44.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.209999999999994 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.957 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -143.31 14.52 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 74.420000000000002 109.562 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.957 HG13 ' ND1' ' A' ' 57' ' ' HIS . 24.4 m -137.34 -165.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 63.399999999999999 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.472 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -116.52 157.62 24.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 54.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.563 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.1 ppp? -47.35 -24.38 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.142 . . . . 72.030000000000001 110.954 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.625 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.4 -52.18 66.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 60.520000000000003 110.035 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' LYS . 6.5 mm-40 -44.84 -49.85 10.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.319999999999993 110.343 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.057 HD22 ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.06 -40.0 43.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 75.349999999999994 109.269 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.807 HD13 HD13 ' A' ' 63' ' ' LEU . 27.9 mm -62.86 -30.44 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 62.299999999999997 109.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -75.71 -31.39 59.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 65.209999999999994 109.345 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.87 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.5 mm -70.96 -54.3 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 63.229999999999997 109.34 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.521 HG21 ' CE1' ' A' ' 79' ' ' PHE . 14.0 mm -52.18 -61.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 109.323 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.725 HH21 HG22 ' A' ' 64' ' ' ILE . 5.5 ptp180 -56.78 -22.4 35.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 75.109999999999999 110.348 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.684 HH21 ' CB ' ' B' ' 347' ' ' ASP . 5.3 mmt180 -79.76 -24.73 41.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 73.230000000000004 110.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -84.16 -46.14 12.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 71.150000000000006 110.268 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 72' ' ' GLN . 6.9 mt -66.44 -25.04 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 72.230000000000004 109.301 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' LEU . 25.6 pt20 37.47 49.72 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 73.519999999999996 110.243 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.683 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -72.96 -173.74 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 60.030000000000001 109.351 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 76' ' ' ASN . 19.7 p30 -104.41 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 74.200000000000003 109.344 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.67 59.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 44.43 109.307 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.415 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . 7.7 t-20 -83.4 -28.39 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 74.340000000000003 109.32 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.683 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.0 tp60 -86.09 138.17 32.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 75.299999999999997 110.316 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.56 128.69 56.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 75.299999999999997 109.348 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.521 ' CE1' HG21 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -120.94 141.93 50.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.540000000000006 110.971 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' CD1' ' OE1' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.93 132.96 22.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 53.43 110.983 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.474 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -98.33 122.58 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 70.099999999999994 109.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.919 HD21 ' O ' ' A' ' 116' ' ' GLN . 2.5 mm? -105.12 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 109.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.9 HG22 ' SD ' ' A' ' 111' ' ' MET . 4.0 t -76.14 111.84 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 75.329999999999998 109.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 66.86 10.92 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 73.329999999999998 109.254 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.96 11.61 39.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 61.149999999999999 111.014 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.63 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.0 p80 -131.23 143.59 50.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 74.019999999999996 109.658 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.434 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 83.7 p -57.81 166.67 1.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 72.540000000000006 109.963 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.406 ' C ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -113.78 11.48 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 111.015 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' SER . 6.4 p -39.44 133.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 86.16 22.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 43.149999999999999 109.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.625 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -39.37 97.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 73.430000000000007 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' SER . 18.8 t -131.86 9.42 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.420000000000002 109.98 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 96.7 m -119.99 143.64 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 72.010000000000005 110.36 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.4 Cg_endo -74.96 139.56 24.52 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 74.200000000000003 111.028 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.848 HD13 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.29 -23.11 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 74.510000000000005 109.229 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t -68.59 -39.21 81.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.424 1.078 . . . . 73.109999999999999 109.976 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 40.7 mm-40 -85.13 -48.63 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.362 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.421 HG23 HG22 ' A' ' 93' ' ' THR . 38.9 t -48.15 -34.95 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.624 1.203 . . . . 73.030000000000001 109.288 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.762 ' CD2' HD23 ' A' ' 109' ' ' LEU . 1.2 t80 -80.94 -34.85 32.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 73.420000000000002 110.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -82.86 -4.24 57.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.239999999999995 110.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 m -114.57 5.61 15.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 63.149999999999999 109.986 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 103' ' ' ARG . 18.5 mm-40 -134.4 -46.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 75.099999999999994 110.301 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -36.99 153.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.510000000000005 110.339 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -174.99 2.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 52.109999999999999 109.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.9 -43.84 29.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.603 1.189 . . . . 74.25 110.304 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.771 ' CB ' HG22 ' A' ' 17' ' ' VAL . 19.9 p-10 -53.63 -47.7 70.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 72.310000000000002 109.26 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.8 23.94 7.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 33.439999999999998 111.023 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.767 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -118.07 132.33 56.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 0.742 . . . . 73.310000000000002 111.023 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.762 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -78.79 138.75 38.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.468 1.105 . . . . 71.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -126.22 106.85 9.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 111.026 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.9 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.2 mtt -133.31 154.07 51.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 64.010000000000005 110.965 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.9 t -116.09 143.89 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 73.329999999999998 109.301 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 0.3 OUTLIER -121.72 139.93 52.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 73.0 111.003 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.694 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -168.29 179.23 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 24.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.493 ' N ' HD11 ' A' ' 44' ' ' LEU . 23.6 t -85.7 39.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 110.019 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.919 ' O ' HD21 ' A' ' 82' ' ' LEU . 2.4 mt-30 -147.73 128.62 14.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 70.450000000000003 110.31 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 80' ' ' PHE . 9.7 tt0 -127.38 -2.81 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 54.409999999999997 110.306 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -129.61 1.72 4.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 61.450000000000003 110.416 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 120' ' ' GLY . 13.6 p90 -43.15 -36.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 75.129999999999995 110.972 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.428 1.08 . . . . 75.540000000000006 111.004 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 12.4 ttp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.513 0.196 . . . . 62.229999999999997 111.036 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 1.4 t -127.79 101.16 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 65.519999999999996 110.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -115.22 91.21 0.55 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.495 1.122 . . . . 43.009999999999998 111.027 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.55 154.03 24.46 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 53.43 111.002 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -105.19 62.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 71.129999999999995 109.283 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . 0.408 ' OD2' ' CD1' ' A' ' 22' ' ' LEU . 1.6 m-20 -90.68 -31.16 16.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 73.319999999999993 109.244 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -119.65 113.04 20.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 74.409999999999997 109.284 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.794 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -82.13 -153.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 73.140000000000001 108.005 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.413 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -98.23 147.36 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 75.25 110.4 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.87 123.51 46.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 109.532 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.87 ' HB3' HG21 ' A' ' 66' ' ' ILE . 4.8 mt -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 109.35 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.46 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.8 OUTLIER -111.38 123.11 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 62.219999999999999 109.984 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.658 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.4 OUTLIER -85.19 10.52 12.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 53.030000000000001 110.041 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.411 ' CD ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -97.09 -29.65 13.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 71.409999999999997 109.313 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.6 -1.4 57.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 61.520000000000003 110.287 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 343' ' ' SER . 22.3 m -76.97 178.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 73.120000000000005 109.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . 0.684 ' CB ' HH21 ' A' ' 69' ' ' ARG . 14.8 t0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 64.450000000000003 109.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.98 -0.378 . . . . 54.43 109.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.9 mtt -82.85 163.37 51.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 74.030000000000001 110.932 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 150.43 38.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 72.219999999999999 111.06 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 58.56 48.08 12.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 60.340000000000003 110.003 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.09 147.63 24.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 71.450000000000003 110.277 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -52.93 -179.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.07 . . . . 65.129999999999995 109.308 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' GLN . 62.4 p -122.58 152.36 40.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 52.200000000000003 110.427 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.648 ' CE2' HG21 ' A' ' 50' ' ' THR . 2.3 t80 -46.27 -24.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 75.299999999999997 111.035 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' CG ' ' OG1' ' A' ' 6' ' ' THR . 6.3 ptpt -78.26 -40.78 36.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 74.230000000000004 109.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -89.42 -64.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 60.229999999999997 110.304 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.3 tpt180 -38.95 -79.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 63.539999999999999 110.334 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.44 136.83 25.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 70.400000000000006 110.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.452 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 1.4 m -67.03 126.94 30.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 61.509999999999998 110.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.797 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.0 t80 -51.33 -39.59 57.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 110.957 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.499 ' HA ' ' CG1' ' A' ' 17' ' ' VAL . 8.2 mt-10 -65.59 -31.07 71.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 110.337 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.858 ' HB3' HH21 ' A' ' 16' ' ' ARG . 6.0 mm100 -70.57 -47.29 60.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 75.040000000000006 110.279 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.858 HH21 ' HB3' ' A' ' 15' ' ' GLN . 5.9 mmp_? -61.58 -55.02 35.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 73.109999999999999 110.298 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 106' ' ' ASP . 7.1 p -56.46 -38.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 72.239999999999995 109.295 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 24.2 tt0 -55.15 -57.7 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 74.549999999999997 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 21' ' ' ARG . 9.8 t0 -49.92 -53.86 23.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 51.310000000000002 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG21 ' O ' ' A' ' 107' ' ' GLY . 8.5 t -39.77 -32.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 71.230000000000004 109.319 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 18' ' ' GLU . 8.7 ttt85 -57.28 -53.12 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 73.349999999999994 110.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' GLN . 2.9 mt -56.84 -51.09 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 64.329999999999998 109.292 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.802 HD13 ' CE2' ' B' ' 338' ' ' TRP . 1.2 tp -62.26 -27.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 73.030000000000001 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.3 mmm180 -71.9 -33.42 68.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 74.040000000000006 110.261 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -100.61 -4.7 27.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 75.540000000000006 110.27 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 22' ' ' LEU . 26.3 mt-30 -106.6 -59.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 110.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.66 ' CG ' HD13 ' A' ' 53' ' ' LEU . 8.2 m-70 -117.02 80.75 11.72 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 74.540000000000006 109.657 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.502 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -75.0 -32.78 5.09 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.552 1.817 . . . . 74.040000000000006 111.07 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.8 p -89.64 30.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.439 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 24.2 mmtt -138.13 144.93 41.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 74.25 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.628 HG23 ' CG ' ' A' ' 99' ' ' TYR . 17.0 mm -96.64 114.55 64.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 63.340000000000003 109.341 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD2' ' CE2' ' A' ' 99' ' ' TYR . 18.4 Cg_endo -74.93 131.99 15.01 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.451 1.764 . . . . 60.009999999999998 111.018 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.67 160.71 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 41.310000000000002 109.344 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.554 HG12 ' CE1' ' A' ' 108' ' ' PHE . 1.9 mm -134.9 95.9 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 63.119999999999997 109.274 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.454 HD13 HG13 ' A' ' 67' ' ' ILE . 49.5 mt -95.89 129.17 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 64.400000000000006 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -131.83 165.7 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 73.349999999999994 110.323 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -73.62 136.07 43.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.376 1.048 . . . . 73.239999999999995 110.268 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.8 t80 -57.53 139.95 52.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 54.109999999999999 111.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 13.4 ptmt -59.44 98.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 73.549999999999997 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.51 20.24 9.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 111.049 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.5 tm-20 -110.52 103.84 12.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 62.140000000000001 110.254 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 -22.43 11.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 64.400000000000006 109.299 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -44.29 -82.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 65.430000000000007 110.348 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.64 HD11 ' N ' ' A' ' 115' ' ' SER . 1.2 mp -58.98 154.67 37.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.319999999999993 109.332 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD2' HD21 ' A' ' 73' ' ' LEU . 18.3 Cg_endo -75.0 165.89 30.36 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 72.019999999999996 110.99 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 13.6 t -83.29 122.77 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 71.25 109.319 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -40.98 146.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 70.209999999999994 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.604 ' H ' HD13 ' A' ' 47' ' ' LEU . 1.3 m-20 -47.66 -44.78 27.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 65.120000000000005 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.1 OUTLIER -139.95 -172.15 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 64.030000000000001 109.392 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.648 HG21 ' CE2' ' A' ' 7' ' ' PHE . 3.3 m -113.98 -28.97 7.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 64.230000000000004 110.431 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.6 mtmp? -94.5 126.08 39.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 74.5 109.235 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 87.5 m-85 -135.87 126.96 27.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 64.540000000000006 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD13 ' CG ' ' A' ' 27' ' ' HIS . 14.0 mt -92.79 103.83 16.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 70.040000000000006 109.31 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.872 HG11 HD13 ' A' ' 95' ' ' ILE . 2.5 t -86.61 141.59 34.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 54.109999999999999 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.553 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.3 Cg_endo -75.01 134.23 17.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.413 1.744 . . . . 72.209999999999994 110.954 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 56' ' ' ASP . 5.7 p-10 -86.85 46.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.938 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -144.04 16.07 1.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 74.420000000000002 109.531 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.938 HG13 ' ND1' ' A' ' 57' ' ' HIS . 18.8 m -136.64 -162.54 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 63.399999999999999 109.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -113.82 174.66 5.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 54.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.627 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.5 ppp? -68.99 -25.56 64.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 72.030000000000001 111.014 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.966 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -67.44 -42.44 83.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 60.520000000000003 109.959 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -54.04 -30.56 48.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.422 1.076 . . . . 65.319999999999993 110.334 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.784 HD23 HD12 ' B' ' 341' ' ' LEU . 0.4 OUTLIER -65.97 -29.63 70.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 75.349999999999994 109.322 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.966 HD12 ' HA ' ' A' ' 61' ' ' SER . 6.3 mt -75.82 -41.9 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 62.299999999999997 109.258 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CD ' ' A' ' 65' ' ' LYS . 6.9 mmtt -61.96 -23.66 66.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 65.209999999999994 109.308 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.585 ' CG2' HD22 ' B' ' 341' ' ' LEU . 97.2 mt -89.32 -62.03 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 63.229999999999997 109.297 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.555 HG12 HD22 ' A' ' 63' ' ' LEU . 14.5 mm -39.78 -48.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 74.109999999999999 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 4.2 ptm85 -61.24 -44.16 97.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 75.109999999999999 110.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 68' ' ' ARG . 14.8 mmm180 -57.88 -30.99 66.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.437 1.086 . . . . 73.230000000000004 110.276 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.43 -40.4 64.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 71.150000000000006 110.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.549 ' HG ' HD22 ' A' ' 47' ' ' LEU . 33.8 mt -69.26 -8.61 47.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 72.230000000000004 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 21.9 pt20 45.83 39.62 5.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 73.519999999999996 110.323 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.658 HD22 ' HG2' ' A' ' 77' ' ' GLN . 18.1 mt -71.85 172.92 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 60.030000000000001 109.288 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -108.43 167.65 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 74.200000000000003 109.383 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.32 -15.69 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 44.43 109.272 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -86.13 -23.54 26.57 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 109.293 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.658 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.4 tp60 -83.39 139.4 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 75.299999999999997 110.317 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.21 138.37 46.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 75.299999999999997 109.256 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.763 ' HE1' HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -143.22 147.75 35.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 111.027 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' A' ' 82' ' ' LEU . 39.1 m-85 -143.46 119.98 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 53.43 110.956 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.62 HD23 ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -86.75 109.66 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 70.099999999999994 109.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.637 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -92.09 116.06 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.120000000000005 109.307 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.867 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.8 t -85.79 110.65 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 75.329999999999998 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.425 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 71.84 7.18 5.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 73.329999999999998 109.277 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.22 6.75 38.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 61.149999999999999 110.976 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 17.7 p80 -128.32 139.19 52.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 0.715 . . . . 74.019999999999996 109.594 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.726 ' HB2' HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -57.62 171.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 72.540000000000006 110.008 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.623 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -113.93 15.19 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 73.310000000000002 110.953 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.726 HG13 ' HB2' ' A' ' 87' ' ' SER . 3.2 m -40.24 126.41 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 72.209999999999994 109.263 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 89' ' ' VAL . 1.1 p 89.13 21.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 43.149999999999999 110.036 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.627 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.21 107.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 73.430000000000007 109.369 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.77 12.38 3.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 74.420000000000002 110.06 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 94' ' ' PRO . 54.3 m -124.18 143.21 42.02 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.462 1.101 . . . . 72.010000000000005 110.394 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 93' ' ' THR . 18.5 Cg_endo -75.03 143.9 29.52 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.557 1.819 . . . . 74.200000000000003 110.987 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.872 HD13 HG11 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -54.65 -20.23 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 74.510000000000005 109.259 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 51.5 p -68.77 -36.59 78.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 73.109999999999999 109.996 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' SER . 5.9 mm-40 -91.67 -50.06 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 74.430000000000007 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 54.8 t -43.05 -38.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 109.28 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.723 ' CD2' HD23 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -77.42 -36.04 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 73.420000000000002 111.003 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -81.49 -4.17 55.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.6 m -116.91 5.93 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 63.149999999999999 110.102 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE2' ' ND2' ' A' ' 84' ' ' ASN . 21.4 mm-40 -133.59 -48.28 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 75.099999999999994 110.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.16 149.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 73.510000000000005 110.363 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 -175.11 2.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 52.109999999999999 109.339 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -49.71 -47.73 50.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 74.25 110.292 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.872 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.1 p-10 -46.25 -50.48 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 72.310000000000002 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.648 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 102.21 45.48 1.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 33.439999999999998 110.987 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.755 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -145.28 131.38 19.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 73.310000000000002 110.987 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.723 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.47 138.25 38.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 71.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -124.6 108.97 12.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 75.439999999999998 110.97 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.867 ' SD ' HG22 ' A' ' 83' ' ' VAL . 5.6 mtt -130.27 139.17 50.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 64.010000000000005 111.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.0 t -110.55 133.76 54.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 73.329999999999998 109.302 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.565 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 10.8 p90 -113.19 152.93 29.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.538 1.149 . . . . 73.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.91 178.84 3.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 24.0 109.337 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.64 ' N ' HD11 ' A' ' 44' ' ' LEU . 6.5 t -88.18 24.29 1.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 63.340000000000003 110.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 118' ' ' THR . 5.8 tp60 -149.91 142.23 24.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 110.365 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.563 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 4.6 tt0 -122.49 -2.21 8.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 54.409999999999997 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 74.3 p -136.85 66.92 1.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 61.450000000000003 110.446 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 120' ' ' GLY . 29.5 p90 -98.78 -37.82 9.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 75.129999999999995 110.974 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.408 ' N ' ' CD1' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 75.540000000000006 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.515 0.197 . . . . 62.229999999999997 111.002 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 83.7 p -128.44 103.17 6.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 65.519999999999996 110.033 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 76.27 -156.91 47.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 43.009999999999998 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.31 -46.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 53.43 111.008 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -97.24 71.61 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 71.129999999999995 109.245 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -62.91 -50.03 72.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 73.319999999999993 109.282 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -126.91 131.58 51.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.409999999999997 109.244 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.802 ' CE2' HD13 ' A' ' 23' ' ' ILE . 3.6 m0 -76.83 -152.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 73.140000000000001 108.022 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' B' ' 340' ' ' HIS . 2.1 m -89.49 168.74 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 75.25 110.406 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . 0.456 ' N ' ' CG2' ' B' ' 339' ' ' THR . 0.0 OUTLIER -125.04 121.68 35.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.310000000000002 109.569 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.784 HD12 HD23 ' A' ' 63' ' ' LEU . 6.8 mt -99.28 113.95 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 73.230000000000004 109.312 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.46 ' HB2' ' CG ' ' B' ' 345' ' ' GLU . 0.7 OUTLIER -111.45 123.96 51.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 62.219999999999999 109.976 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.761 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.3 OUTLIER -78.13 0.59 24.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 53.030000000000001 109.936 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 -21.16 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 71.409999999999997 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' B' ' 342' ' ' SER . 5.0 mm-40 -87.43 -7.39 57.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 61.520000000000003 110.315 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.761 HG22 ' O ' ' B' ' 343' ' ' SER . 29.9 m -79.89 -177.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 73.120000000000005 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 64.450000000000003 109.278 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.99 -0.374 . . . . 54.43 109.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.13 156.57 45.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 74.030000000000001 110.986 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 57.66 4.7 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.421 1.748 . . . . 72.219999999999999 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 p -159.19 136.0 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 60.340000000000003 109.97 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.96 126.58 52.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 71.450000000000003 110.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -57.45 -169.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.58 1.175 . . . . 65.129999999999995 109.336 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.2 p -109.21 154.32 22.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 52.200000000000003 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 36' ' ' GLU . 57.1 m-85 -44.97 -22.72 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 75.299999999999997 111.041 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 13.1 ptmt -81.64 -39.74 23.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 74.230000000000004 109.272 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' THR . 37.9 mt-30 -92.08 -64.57 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 60.229999999999997 110.313 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' THR . 20.9 tpt85 -36.62 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 63.539999999999999 110.26 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -39.82 134.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 70.400000000000006 110.242 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' GLN . 0.8 OUTLIER -70.5 131.4 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 61.509999999999998 109.995 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.673 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.8 t80 -46.46 -38.95 9.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 71.109999999999999 110.998 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HA ' HG12 ' A' ' 17' ' ' VAL . 2.7 pt-20 -81.95 -21.5 37.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 72.439999999999998 110.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' SER . 17.0 mm100 -82.96 -19.98 36.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 75.040000000000006 110.292 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' NH2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -90.84 -38.18 13.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 73.109999999999999 110.294 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 13' ' ' PHE . 6.8 p -76.01 -34.99 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 72.239999999999995 109.278 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.09 -47.05 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 74.549999999999997 110.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 51.310000000000002 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.611 ' CG2' ' CD2' ' A' ' 108' ' ' PHE . 26.5 t -55.79 -24.63 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 71.230000000000004 109.289 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -58.76 -44.19 90.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 73.349999999999994 110.34 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.555 HD12 ' CG ' ' B' ' 335' ' ' ASP . 1.4 mt -62.6 -54.84 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 64.329999999999998 109.376 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.881 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -61.49 -26.67 40.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.341 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.505 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 3.2 mmm180 -72.54 -33.41 66.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 74.040000000000006 110.316 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -100.58 -4.93 27.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 75.540000000000006 110.368 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 22' ' ' LEU . 31.7 mt-30 -104.86 -58.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 74.230000000000004 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -117.19 80.83 12.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 74.540000000000006 109.592 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.505 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.93 -32.58 5.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 74.040000000000006 111.008 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.9 p -89.83 30.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 72.209999999999994 110.481 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -136.46 151.66 49.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 74.25 109.263 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.634 HG23 ' CG ' ' A' ' 99' ' ' TYR . 17.0 mm -103.65 113.59 65.42 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 63.340000000000003 109.33 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.56 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.3 Cg_endo -74.96 139.28 24.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.538 1.809 . . . . 60.009999999999998 110.946 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' A' ' 52' ' ' PHE . 3.5 m -142.45 161.81 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 41.310000000000002 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.556 HG12 ' CE1' ' A' ' 108' ' ' PHE . 3.2 mm -135.91 95.93 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 63.119999999999997 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.969 HD13 HD11 ' A' ' 67' ' ' ILE . 9.9 mt -95.36 131.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 64.400000000000006 109.361 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 3.6 mp0 -132.62 173.78 10.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 73.349999999999994 110.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -80.43 137.48 36.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 73.239999999999995 110.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -61.65 137.16 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 54.109999999999999 110.959 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 16.8 mtmt -59.73 99.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.549999999999997 109.254 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.63 18.12 9.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 74.450000000000003 110.972 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -109.28 108.08 18.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 62.140000000000001 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -114.89 -36.0 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 64.400000000000006 109.25 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 35.4 mt-30 -38.44 -77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 65.430000000000007 110.405 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 115' ' ' SER . 3.9 mt -54.94 152.25 14.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 109.299 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.72 28.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.488 1.783 . . . . 72.019999999999996 110.987 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -81.01 121.93 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 71.25 109.235 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.578 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.19 149.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 70.209999999999994 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.578 ' H ' HD13 ' A' ' 47' ' ' LEU . 39.3 t0 -58.93 -37.92 77.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HE3' ' CB ' ' B' ' 339' ' ' THR . 0.0 OUTLIER -144.64 -177.86 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 64.030000000000001 109.322 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -113.39 -31.95 6.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 64.230000000000004 110.449 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HD2' ' CE2' ' B' ' 338' ' ' TRP . 3.9 mtmp? -93.59 135.91 34.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 74.5 109.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.627 ' HB3' HD11 ' B' ' 341' ' ' LEU . 11.1 m-85 -139.99 140.21 36.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 64.540000000000006 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.623 HD21 HG12 ' A' ' 23' ' ' ILE . 19.3 mt -109.2 104.26 13.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 70.040000000000006 109.31 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.541 HG11 HD13 ' A' ' 95' ' ' ILE . 2.6 t -91.54 141.44 25.88 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 54.109999999999999 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.536 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.0 135.47 19.12 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.451 1.764 . . . . 72.209999999999994 110.982 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 5.9 p-10 -85.86 48.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 73.209999999999994 109.362 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.838 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -151.97 21.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 74.420000000000002 109.598 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.838 HG13 ' ND1' ' A' ' 57' ' ' HIS . 33.5 m -137.26 -167.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 63.399999999999999 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -116.72 148.55 40.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 54.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.644 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.8 ppp? -42.83 -26.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 110.988 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.655 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.98 -47.61 77.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 60.520000000000003 110.033 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' OE2' HG11 ' A' ' 58' ' ' VAL . 7.1 mt-10 -47.27 -52.15 16.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 65.319999999999993 110.35 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD12 HG12 ' A' ' 67' ' ' ILE . 3.2 tp -47.04 -32.59 4.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 75.349999999999994 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 8.2 mm -71.23 -41.64 74.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 62.299999999999997 109.251 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 25.1 mtpp -65.0 -35.77 82.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 65.209999999999994 109.262 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.856 HG21 ' HB3' ' B' ' 341' ' ' LEU . 13.7 mm -70.9 -57.71 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.264 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.969 HD11 HD13 ' A' ' 35' ' ' ILE . 20.5 mm -46.09 -68.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 74.109999999999999 109.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 12.1 ptm180 -44.17 -42.63 6.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 75.109999999999999 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' CZ ' ' O ' ' B' ' 345' ' ' GLU . 9.1 mmm180 -62.12 -36.26 81.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 73.230000000000004 110.318 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -67.5 -46.09 73.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 71.150000000000006 110.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 HD11 ' A' ' 73' ' ' LEU . 9.8 mt -64.4 -12.74 46.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 109.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 27.2 pt20 45.93 40.8 7.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 73.519999999999996 110.333 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.8 HD22 ' HG2' ' A' ' 77' ' ' GLN . 1.8 mt -80.19 -176.52 5.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 60.030000000000001 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -121.31 -178.55 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 74.200000000000003 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.17 62.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 44.43 109.4 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -78.32 -25.85 46.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 74.340000000000003 109.353 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.8 ' HG2' HD22 ' A' ' 73' ' ' LEU . 41.5 tp60 -91.36 129.56 37.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 75.299999999999997 110.228 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.57 129.44 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 75.299999999999997 109.309 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.639 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -135.51 134.65 39.71 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 75.540000000000006 111.015 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 22.4 m-85 -143.33 116.0 8.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 53.43 110.989 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 HG13 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -84.93 119.01 24.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 70.099999999999994 109.267 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.63 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -93.45 120.33 33.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.306 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.886 HG22 ' SD ' ' A' ' 111' ' ' MET . 2.9 t -87.27 108.2 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 75.329999999999998 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.448 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 72.66 10.29 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 109.315 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.91 3.11 45.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 61.149999999999999 111.043 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 5.7 p80 -124.59 129.97 51.57 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 0.742 . . . . 74.019999999999996 109.595 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.571 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -57.8 172.29 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.123 . . . . 72.540000000000006 109.972 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -117.96 40.93 3.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 110.971 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' MET . 4.0 p -39.26 -30.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 72.209999999999994 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' MET . 3.3 m -119.55 103.85 9.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 43.149999999999999 109.953 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.655 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -108.5 86.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 73.430000000000007 109.263 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.1 t -124.81 18.08 8.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 74.420000000000002 110.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.837 HG22 HG23 ' A' ' 98' ' ' VAL . 3.6 m -129.89 145.97 59.36 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.527 1.142 . . . . 72.010000000000005 110.368 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.1 Cg_endo -74.96 143.52 29.31 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.467 1.772 . . . . 74.200000000000003 111.034 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.541 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -53.21 -21.07 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 74.510000000000005 109.27 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.7 p -71.26 -35.73 71.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 73.109999999999999 110.019 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 48.5 mm-40 -88.44 -51.82 5.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 110.263 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.837 HG23 HG22 ' A' ' 93' ' ' THR . 6.0 t -47.01 -33.21 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 73.030000000000001 109.272 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.634 ' CG ' HG23 ' A' ' 31' ' ' ILE . 2.3 t80 -79.46 -37.63 36.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 73.420000000000002 110.941 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -78.29 -3.5 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 110.3 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.9 3.39 13.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 63.149999999999999 110.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.724 ' HB2' HD21 ' A' ' 109' ' ' LEU . 3.8 mm-40 -134.16 -51.45 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.442 1.089 . . . . 75.099999999999994 110.323 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.518 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 5.5 ppt_? -34.74 150.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 73.510000000000005 110.286 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -96.66 -174.87 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 52.109999999999999 109.311 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 6.7 mm-40 -54.49 -38.79 66.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 74.25 110.361 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.636 ' C ' ' OD1' ' A' ' 106' ' ' ASP . 0.1 OUTLIER -57.38 -47.59 81.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 72.310000000000002 109.318 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.68 27.6 4.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.152 . . . . 33.439999999999998 110.956 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.643 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -120.62 133.29 55.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 73.310000000000002 110.976 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.724 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.3 mt -83.28 147.95 27.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 71.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -126.73 106.94 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 75.439999999999998 110.979 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.886 ' SD ' HG22 ' A' ' 83' ' ' VAL . 4.1 mtt -128.99 133.17 47.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 64.010000000000005 111.027 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -110.24 124.12 66.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 73.329999999999998 109.285 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 4.1 p90 -103.34 153.74 20.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 73.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -173.78 178.48 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 24.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.25 30.87 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 63.340000000000003 110.045 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 119' ' ' PHE . 3.9 pt20 -149.79 126.03 10.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 70.450000000000003 110.354 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 11.0 tt0 -110.05 -7.1 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 54.409999999999997 110.264 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.4 p -133.59 68.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 61.450000000000003 110.385 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.42 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 43.0 p90 -97.39 -31.43 12.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 75.129999999999995 111.059 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 75.540000000000006 110.986 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . 0.405 ' O ' ' C ' ' B' ' 332' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.504 0.192 . . . . 62.229999999999997 110.988 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 331' ' ' MET . 17.7 p 39.13 50.52 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 65.519999999999996 109.975 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 58.72 60.95 7.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 43.009999999999998 110.978 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 52.41 -179.48 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.016 -0.834 . . . . 53.43 111.016 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.555 ' CG ' HD12 ' A' ' 22' ' ' LEU . 3.8 p30 -97.36 76.42 2.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.561 0.801 . . . . 71.129999999999995 109.296 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -104.33 60.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 73.319999999999993 109.29 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . 0.4 ' OD2' ' OE1' ' A' ' 26' ' ' GLN . 11.2 m-20 71.55 108.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 74.409999999999997 109.322 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.881 ' NE1' HD13 ' A' ' 23' ' ' ILE . 3.4 m0 -61.79 -152.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 73.140000000000001 107.971 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -100.26 146.67 26.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 75.25 110.391 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . 0.582 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.2 OUTLIER -100.51 123.49 44.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 75.310000000000002 109.602 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.856 ' HB3' HG21 ' A' ' 66' ' ' ILE . 0.9 OUTLIER -89.89 119.85 30.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 73.230000000000004 109.376 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.479 ' O ' HG13 ' B' ' 346' ' ' VAL . 0.9 OUTLIER -113.21 120.24 40.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 62.219999999999999 110.046 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 62' ' ' GLU . 3.8 t -90.1 21.68 3.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 53.030000000000001 109.987 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -105.43 -29.57 10.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 71.409999999999997 109.32 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . 0.412 ' O ' ' CZ ' ' A' ' 69' ' ' ARG . 2.3 mt-10 -93.55 -2.24 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 61.520000000000003 110.249 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.697 ' CG1' HD13 ' A' ' 66' ' ' ILE . 22.3 m -77.06 -171.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 73.120000000000005 109.264 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 64.450000000000003 109.278 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.961 -0.385 . . . . 54.43 109.961 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 mmt -95.28 154.73 39.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 74.030000000000001 110.99 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.25 9.73 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.534 1.807 . . . . 72.219999999999999 110.96 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -98.84 108.43 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 60.340000000000003 109.986 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -58.34 135.45 57.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.412 1.07 . . . . 71.450000000000003 110.367 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -50.85 -179.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 65.129999999999995 109.323 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 9' ' ' GLN . 3.3 p -124.1 149.64 45.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 52.200000000000003 110.373 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -42.17 -26.99 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 111.046 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 6' ' ' THR . 8.8 ptmt -72.78 -47.99 41.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 74.230000000000004 109.288 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' THR . 9.0 mm100 -85.84 -64.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 60.229999999999997 110.263 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 6' ' ' THR . 21.2 tpt180 -44.9 -72.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.45 1.094 . . . . 63.539999999999999 110.237 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.494 ' HG2' HH21 ' A' ' 16' ' ' ARG . 0.5 OUTLIER -69.55 116.18 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 70.400000000000006 110.387 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 15' ' ' GLN . 0.5 OUTLIER -53.99 130.03 36.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 61.509999999999998 109.998 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.058 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -46.46 -64.99 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 71.109999999999999 111.009 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' VAL . 4.4 mt-10 -52.42 -20.11 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 72.439999999999998 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -84.25 -30.47 25.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 75.040000000000006 110.246 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.494 HH21 ' HG2' ' A' ' 11' ' ' ARG . 7.2 ttm-85 -90.75 -19.02 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 73.109999999999999 110.342 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.058 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.2 m -81.56 -43.1 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.239999999999995 109.328 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -58.54 -22.79 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.549999999999997 110.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.19 -57.73 6.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 51.310000000000002 109.301 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.919 HG21 ' O ' ' A' ' 107' ' ' GLY . 0.3 OUTLIER -49.83 -44.16 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 71.230000000000004 109.306 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 40.8 ttt180 -38.43 -38.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 73.349999999999994 110.348 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.44 -59.43 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 64.329999999999998 109.246 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.778 HD13 ' CE2' ' B' ' 338' ' ' TRP . 0.9 OUTLIER -54.08 -23.48 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 109.236 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -71.3 -32.91 69.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.040000000000006 110.311 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -100.91 -5.02 26.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 75.540000000000006 110.336 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -107.25 -60.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 110.345 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.449 ' CG ' ' CD1' ' A' ' 53' ' ' LEU . 56.6 m-70 -119.59 78.23 20.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.6 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.44 11.93 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.514 1.797 . . . . 74.040000000000006 111.043 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 p -89.17 21.09 3.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 72.209999999999994 110.409 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 18.9 mmtt -132.7 156.9 46.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 74.25 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.612 ' O ' HG12 ' A' ' 54' ' ' VAL . 16.3 mm -107.33 121.8 43.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 63.340000000000003 109.283 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.5 Cg_endo -74.93 141.92 27.45 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 60.009999999999998 111.022 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.68 162.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 41.310000000000002 109.257 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 108' ' ' PHE . 2.4 mm -136.39 96.08 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 63.119999999999997 109.275 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.93 HD13 HD11 ' A' ' 67' ' ' ILE . 11.4 mt -94.85 121.91 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 64.400000000000006 109.321 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' CD ' HG21 ' A' ' 50' ' ' THR . 6.5 mm-40 -127.63 174.85 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 73.349999999999994 110.314 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -85.02 131.7 34.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.295 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 2.1 t80 -53.79 136.55 39.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 54.109999999999999 110.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -58.04 103.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 73.549999999999997 109.271 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.07 20.19 14.71 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.5 1.125 . . . . 74.450000000000003 111.007 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.6 tm-20 -112.52 109.88 19.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 62.140000000000001 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -21.94 11.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 64.400000000000006 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -44.73 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 65.430000000000007 110.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.644 HD12 ' HD1' ' A' ' 113' ' ' TYR . 13.6 mt -54.76 148.44 26.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 74.319999999999993 109.252 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.46 8.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 72.019999999999996 111.011 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.8 t -79.44 107.32 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 71.25 109.356 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.071 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -40.3 145.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 70.209999999999994 109.316 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.576 ' H ' HD13 ' A' ' 47' ' ' LEU . 55.2 m-20 -44.37 -38.07 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 65.120000000000005 109.265 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -161.53 -169.75 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 64.030000000000001 109.321 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.5 HG21 ' CD ' ' A' ' 36' ' ' GLU . 3.2 m -115.2 -32.71 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 64.230000000000004 110.435 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.564 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 15.5 mtmm -92.46 129.91 38.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 74.5 109.34 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.65 ' HB3' HD11 ' B' ' 341' ' ' LEU . 45.6 m-85 -140.87 136.31 32.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 64.540000000000006 111.002 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' CD2' ' CE3' ' B' ' 338' ' ' TRP . 6.0 mt -100.14 103.09 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 70.040000000000006 109.269 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.747 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.8 p -93.82 143.75 27.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 54.109999999999999 109.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.747 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -75.02 127.05 10.36 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 72.209999999999994 111.008 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -82.05 53.23 2.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 73.209999999999994 109.306 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 6.7 p-80 -154.61 28.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.54 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.3 m -144.19 -163.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 63.399999999999999 109.299 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -113.63 148.49 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 54.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.611 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.2 ppp? -47.11 -23.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 72.030000000000001 111.026 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.673 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -59.07 -53.52 57.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.42 1.075 . . . . 60.520000000000003 109.978 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' LYS . 15.7 mm-40 -42.3 -51.75 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 65.319999999999993 110.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 95' ' ' ILE . 1.4 tt -44.34 -46.03 9.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 75.349999999999994 109.237 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 64' ' ' ILE . 6.1 mm -58.92 -40.21 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 62.299999999999997 109.256 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 69' ' ' ARG . 16.9 mtpp -69.74 -23.95 63.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 65.209999999999994 109.297 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.962 HG21 ' HB3' ' B' ' 341' ' ' LEU . 15.8 mm -82.77 -34.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 63.229999999999997 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.93 HD11 HD13 ' A' ' 35' ' ' ILE . 9.4 mm -72.0 -69.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 74.109999999999999 109.354 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 5.6 ptm180 -45.43 -34.43 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 110.262 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 65' ' ' LYS . 1.4 mpt_? -62.13 -39.68 93.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 73.230000000000004 110.272 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ILE . 10.9 mtt-85 -69.57 -51.25 37.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 71.150000000000006 110.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.071 HD21 HD22 ' A' ' 47' ' ' LEU . 26.5 mt -61.3 -19.76 62.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 72.230000000000004 109.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 39.74 43.67 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 73.519999999999996 110.342 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.866 HD22 ' HG2' ' A' ' 77' ' ' GLN . 2.4 mt -75.19 169.04 18.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 60.030000000000001 109.282 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -109.43 176.62 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 74.200000000000003 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.52 -40.36 71.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 44.43 109.302 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -56.0 -39.41 71.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 74.340000000000003 109.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.866 ' HG2' HD22 ' A' ' 73' ' ' LEU . 37.3 tp60 -92.46 125.5 37.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 75.299999999999997 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.452 ' N ' HE21 ' A' ' 77' ' ' GLN . . . -103.27 136.08 43.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.481 1.113 . . . . 75.299999999999997 109.285 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 67' ' ' ILE . 1.4 t80 -129.29 134.77 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 75.540000000000006 111.032 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 117' ' ' GLU . 12.9 m-85 -143.48 117.46 9.41 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.471 1.107 . . . . 53.43 110.986 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.614 HD12 HG13 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -85.64 114.18 22.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 70.099999999999994 109.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.898 HD12 ' CZ ' ' A' ' 119' ' ' PHE . 0.4 OUTLIER -89.04 116.76 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 74.120000000000005 109.344 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.689 HG11 ' OE1' ' A' ' 102' ' ' GLU . 55.0 t -81.72 113.67 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 75.329999999999998 109.312 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 0.5 OUTLIER 62.83 20.59 12.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 73.329999999999998 109.289 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.82 6.85 61.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 61.149999999999999 111.021 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 22.8 p80 -128.14 127.61 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 74.019999999999996 109.633 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.485 ' CB ' ' HG3' ' A' ' 117' ' ' GLU . 15.4 p -57.65 172.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.531 1.144 . . . . 72.540000000000006 109.993 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -119.84 42.86 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 73.310000000000002 110.985 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 88' ' ' MET . 2.1 p -39.2 -30.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 72.209999999999994 109.313 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' MET . 4.7 t -118.85 105.09 11.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 43.149999999999999 110.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -109.91 87.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 73.430000000000007 109.286 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t -126.84 19.81 7.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 74.420000000000002 110.065 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.583 HG23 ' HD2' ' A' ' 94' ' ' PRO . 21.5 m -130.11 144.82 54.7 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.010000000000005 110.394 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.06 138.16 22.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.518 1.799 . . . . 74.200000000000003 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.838 HD11 HD12 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -46.47 -32.16 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 74.510000000000005 109.347 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.3 p -57.2 -43.02 82.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 73.109999999999999 109.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 100' ' ' GLU . 47.8 mt-10 -83.07 -54.66 4.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 74.430000000000007 110.274 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.578 HG23 HG22 ' A' ' 93' ' ' THR . 5.2 t -41.6 -32.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 73.030000000000001 109.259 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.585 ' CD2' HG23 ' A' ' 31' ' ' ILE . 1.9 t80 -79.09 -46.5 17.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 73.420000000000002 110.989 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 97' ' ' GLU . 7.0 pt-20 -71.62 -4.73 28.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.239999999999995 110.313 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -111.35 -7.49 14.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 63.149999999999999 109.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 109' ' ' LEU . 93.4 mt-10 -123.85 -58.35 1.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 75.099999999999994 110.297 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -37.78 155.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 110.336 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.07 -176.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 52.109999999999999 109.253 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ASP . 36.5 mm-40 -44.99 -50.44 10.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 74.25 110.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.686 ' CB ' HG12 ' A' ' 17' ' ' VAL . 11.5 p-10 -39.33 -51.47 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.310000000000002 109.31 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.919 ' O ' HG21 ' A' ' 20' ' ' VAL . . . 101.45 31.18 5.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 33.439999999999998 110.992 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -132.97 129.86 38.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 73.310000000000002 110.97 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 102' ' ' GLU . 3.5 mt -78.44 139.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 71.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.468 ' CE2' ' O ' ' A' ' 108' ' ' PHE . 87.0 m-85 -119.06 107.4 13.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 75.439999999999998 111.066 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.62 ' SD ' HG22 ' A' ' 83' ' ' VAL . 6.1 mtt -128.59 139.16 52.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.559 1.162 . . . . 64.010000000000005 111.031 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 2.7 t -114.66 121.99 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.418 1.074 . . . . 73.329999999999998 109.29 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.644 ' HD1' HD12 ' A' ' 44' ' ' LEU . 10.2 p90 -100.4 151.72 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 73.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -170.77 179.2 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 24.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.8 t -88.33 24.06 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 63.340000000000003 109.962 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.5 pt20 -144.48 124.78 13.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 70.450000000000003 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.538 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -107.03 -13.61 15.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 54.409999999999997 110.296 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.516 ' O ' ' C ' ' A' ' 119' ' ' PHE . 0.0 OUTLIER -122.16 39.67 3.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 61.450000000000003 110.372 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.898 ' CZ ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -27.0 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 75.129999999999995 110.985 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.569 1.168 . . . . 75.540000000000006 111.022 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.549 0.214 . . . . 62.229999999999997 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 1.6 m -50.12 179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 65.519999999999996 109.977 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 121.5 -91.12 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 43.009999999999998 110.994 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 177.23 -153.92 14.66 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 53.43 110.983 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -96.22 53.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.741 . . . . 71.129999999999995 109.35 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -49.39 61.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 73.319999999999993 109.208 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.11 109.9 17.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 74.409999999999997 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.784 ' CH2' ' CZ ' ' A' ' 108' ' ' PHE . 29.7 m0 -54.14 -79.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.036 -1.098 . . . . 73.140000000000001 108.036 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.732 HG23 ' N ' ' B' ' 340' ' ' HIS . 0.6 OUTLIER -157.81 -169.53 2.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 1.103 . . . . 75.25 110.339 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . 0.732 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.86 117.82 12.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 75.310000000000002 109.597 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.962 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.4 mt -93.67 84.38 4.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.486 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -84.77 136.42 33.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 62.219999999999999 110.056 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.503 ' O ' HG22 ' B' ' 346' ' ' VAL . 0.5 OUTLIER -91.34 8.72 34.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 53.030000000000001 110.043 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -33.19 10.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.409999999999997 109.303 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -78.1 -11.79 59.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 61.520000000000003 110.279 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.708 ' CG1' HD13 ' A' ' 66' ' ' ILE . 32.2 m -61.18 -170.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 73.120000000000005 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 64.450000000000003 109.286 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.99 -0.374 . . . . 54.43 109.99 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.79 157.71 32.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 74.030000000000001 110.961 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -52.6 0.11 Allowed 'Trans proline' 0 C--N 1.362 1.245 0 O-C-N 124.442 1.759 . . . . 72.219999999999999 111.021 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -105.52 127.0 52.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 60.340000000000003 110.064 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -87.9 124.81 34.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 71.450000000000003 110.34 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -66.04 -172.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 65.129999999999995 109.323 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.685 HG23 ' HG3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -104.9 153.61 21.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 52.200000000000003 110.436 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 50' ' ' THR . 9.6 m-85 -44.65 -24.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 75.299999999999997 110.966 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.685 ' HG3' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -79.73 -39.02 32.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 74.230000000000004 109.295 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.0 mm100 -91.31 -65.51 1.01 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 60.229999999999997 110.273 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' THR . 26.2 tpt180 -39.87 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 63.539999999999999 110.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -51.41 132.81 29.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 70.400000000000006 110.329 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' GLN . 99.3 p -74.29 124.59 26.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 61.509999999999998 110.051 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 106' ' ' ASP . 1.7 t80 -37.9 -56.26 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 71.109999999999999 111.014 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -47.01 -42.28 17.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 72.439999999999998 110.323 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' SER . 23.3 mm100 -69.1 -42.72 75.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.529 HH22 HG21 ' A' ' 34' ' ' ILE . 13.8 mtp180 -63.13 -27.01 69.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 73.109999999999999 110.303 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.72 HG22 ' HA ' ' A' ' 106' ' ' ASP . 89.8 t -84.98 -39.37 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 72.239999999999995 109.333 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.58 -49.22 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 74.549999999999997 110.303 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -55.15 -30.51 59.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 51.310000000000002 109.302 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 108' ' ' PHE . 9.8 t -76.89 -28.73 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 71.230000000000004 109.338 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.95 -37.39 84.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 73.349999999999994 110.31 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 mt -75.16 -57.04 4.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 64.329999999999998 109.334 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.767 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.2 tp -52.76 -27.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.163 . . . . 73.030000000000001 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' NH1' ' HA ' ' A' ' 28' ' ' PRO . 6.6 mmm180 -72.33 -32.89 66.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 74.040000000000006 110.259 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.81 -4.51 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 75.540000000000006 110.303 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 34.0 mt-30 -112.06 -17.81 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 74.230000000000004 110.264 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.805 ' CG ' HD13 ' A' ' 53' ' ' LEU . 88.2 m-70 -160.6 68.37 2.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 74.540000000000006 109.535 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 18.2 Cg_endo -75.07 -26.38 10.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 74.040000000000006 110.967 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.1 p -86.52 12.15 11.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 72.209999999999994 110.503 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 5.3 mmtp -126.03 164.37 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 74.25 109.343 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.823 HG23 ' CD2' ' A' ' 99' ' ' TYR . 34.2 mm -110.62 115.23 54.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 63.340000000000003 109.286 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.677 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 138.45 23.1 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 60.009999999999998 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.84 159.2 16.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 41.310000000000002 109.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.602 HG23 HG22 ' A' ' 50' ' ' THR . 2.4 mm -132.91 95.57 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 63.119999999999997 109.323 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 50' ' ' THR . 8.0 mt -86.93 133.59 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 64.400000000000006 109.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 7' ' ' PHE . 11.8 mm-40 -134.21 158.73 42.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 73.349999999999994 110.345 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.2 ptt-85 -69.21 137.47 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 73.239999999999995 110.36 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 1.9 t80 -63.45 148.68 47.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 54.109999999999999 111.038 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 9.6 ptpt -62.38 96.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 73.549999999999997 109.306 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.2 24.53 7.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 74.450000000000003 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -84.9 116.05 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 62.140000000000001 110.294 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -117.91 -39.65 3.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.398 1.061 . . . . 64.400000000000006 109.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.402 ' N ' ' HD2' ' A' ' 42' ' ' LYS . 45.4 mm-40 -52.18 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 65.430000000000007 110.314 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.746 HD11 ' HA ' ' A' ' 79' ' ' PHE . 12.3 mt -54.62 139.54 59.62 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 109.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.2 Cg_endo -74.95 165.54 31.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 72.019999999999996 110.968 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' LEU . 46.9 t -71.26 114.54 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 71.25 109.31 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.915 HD22 HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -39.88 145.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 70.209999999999994 109.33 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.497 ' H ' HD13 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -57.39 -43.89 84.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 65.120000000000005 109.359 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.38 177.23 7.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 64.030000000000001 109.372 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.678 HG21 ' CE2' ' A' ' 7' ' ' PHE . 37.9 m -113.53 -18.94 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 64.230000000000004 110.396 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 11.9 mtmm -105.94 133.33 50.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 74.5 109.298 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' HA ' HG22 ' B' ' 339' ' ' THR . 5.8 m-85 -140.04 138.05 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 64.540000000000006 111.002 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.805 HD13 ' CG ' ' A' ' 27' ' ' HIS . 20.0 mt -106.14 103.16 12.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 70.040000000000006 109.313 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 ' HD2' ' A' ' 55' ' ' PRO . 2.2 p -95.48 143.85 26.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 54.109999999999999 109.287 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.718 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.2 Cg_endo -74.97 130.32 13.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.53 1.805 . . . . 72.209999999999994 110.942 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -79.55 53.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 73.209999999999994 109.249 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.76 ' ND1' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -154.13 22.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 109.634 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.76 HG13 ' ND1' ' A' ' 57' ' ' HIS . 27.5 m -137.39 -168.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 63.399999999999999 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -109.23 161.35 15.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 54.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.75 ' HG3' HG23 ' A' ' 91' ' ' VAL . 2.7 ppp? -58.17 -29.78 65.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 72.030000000000001 111.081 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.943 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.3 t -66.3 -42.51 88.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 60.520000000000003 110.032 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' B' ' 343' ' ' SER . 4.3 mt-10 -53.14 -32.61 48.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 65.319999999999993 110.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.59 HD22 HD11 ' A' ' 95' ' ' ILE . 1.5 tp -64.95 -29.86 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 75.349999999999994 109.319 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.982 HG23 ' CE2' ' A' ' 79' ' ' PHE . 7.4 mt -74.36 -48.95 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 62.299999999999997 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 22.3 mtmt -50.59 -25.6 4.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 65.209999999999994 109.314 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' B' ' 346' ' ' VAL . 44.3 mt -90.11 -55.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 63.229999999999997 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.741 HG21 ' CZ ' ' A' ' 79' ' ' PHE . 6.9 mm -42.11 -46.4 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 74.109999999999999 109.298 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 65' ' ' LYS . 28.8 ptt180 -60.49 -43.02 97.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.39 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' ILE . 5.8 mmm180 -59.24 -25.76 64.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 73.230000000000004 110.258 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -43.72 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 71.150000000000006 110.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.915 HD21 HD22 ' A' ' 47' ' ' LEU . 93.5 mt -67.04 -10.98 55.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 109.283 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 13.1 pt20 45.84 46.24 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.519999999999996 110.328 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.747 HD13 ' OE1' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -85.3 -172.4 4.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 60.030000000000001 109.384 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -116.85 -174.94 2.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.117 . . . . 74.200000000000003 109.357 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.08 71.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.097 . . . . 44.43 109.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -68.62 -39.74 80.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 74.340000000000003 109.309 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.747 ' OE1' HD13 ' A' ' 73' ' ' LEU . 1.7 tm0? -60.65 143.66 53.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 75.299999999999997 110.293 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.563 ' H ' ' NE2' ' A' ' 77' ' ' GLN . . . -120.45 131.69 54.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 75.299999999999997 109.298 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.982 ' CE2' HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -131.53 119.82 22.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.566 1.167 . . . . 75.540000000000006 111.044 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -118.27 113.98 22.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 53.43 110.979 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 79' ' ' PHE . 0.5 OUTLIER -90.19 109.44 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.099999999999994 109.284 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.664 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -87.97 114.46 24.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.120000000000005 109.328 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.619 HG12 ' CE1' ' A' ' 86' ' ' HIS . 2.5 t -83.33 109.59 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 75.329999999999998 109.212 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 102' ' ' GLU . 1.3 m-20 71.24 6.1 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.67 3.36 30.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 61.149999999999999 110.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.619 ' CE1' HG12 ' A' ' 83' ' ' VAL . 22.7 p80 -123.43 129.89 51.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 74.019999999999996 109.583 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.553 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -57.51 172.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 72.540000000000006 110.032 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.652 ' HG2' HD11 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -118.15 38.32 3.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.996 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.6 p -60.91 -13.91 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 72.209999999999994 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' SER . 77.8 p -117.13 28.91 8.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 43.149999999999999 109.973 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.75 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.4 OUTLIER -46.31 95.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 73.430000000000007 109.348 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' SER . 4.1 m -133.09 22.78 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 74.420000000000002 110.031 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.574 HG23 ' HD2' ' A' ' 94' ' ' PRO . 22.4 m -141.85 144.27 31.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 72.010000000000005 110.353 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.574 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.5 Cg_endo -74.98 142.26 27.7 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.436 1.756 . . . . 74.200000000000003 111.033 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.59 HD11 HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -46.08 -30.63 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.329 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.8 p -58.32 -45.23 88.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 73.109999999999999 109.988 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' HA ' ' CG ' ' A' ' 100' ' ' GLU . 20.0 mt-10 -81.62 -49.05 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 110.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 3.4 t -48.39 -25.83 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 73.030000000000001 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.823 ' CD2' HG23 ' A' ' 31' ' ' ILE . 8.6 t80 -80.18 -50.79 9.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 73.420000000000002 110.978 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -77.34 -3.61 40.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 110.287 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLU . 5.0 m -110.59 3.62 19.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 63.149999999999999 110.043 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 6.6 mm-40 -137.38 -54.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 75.099999999999994 110.32 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 2.2 ppt_? -34.67 150.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 73.510000000000005 110.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.5 -175.14 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 52.109999999999999 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mp0 -46.69 -39.12 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 74.25 110.319 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.72 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -51.38 -50.44 59.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 72.310000000000002 109.284 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.03 17.33 20.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.123 . . . . 33.439999999999998 111.035 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.764 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -119.02 135.14 54.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 73.310000000000002 110.99 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.752 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.55 140.31 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 71.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -127.14 108.71 11.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 75.439999999999998 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.71 136.42 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 64.010000000000005 111.02 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 3.0 t -107.43 130.96 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 73.329999999999998 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.569 ' C ' ' CD1' ' A' ' 113' ' ' TYR . 1.7 p90 -105.13 160.96 14.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -179.08 168.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 24.0 109.356 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 t -89.2 21.65 3.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 63.340000000000003 110.083 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -145.79 119.15 8.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 70.450000000000003 110.278 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 7.3 tt0 -106.34 -7.17 17.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 54.409999999999997 110.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.2 p -132.42 56.36 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 61.450000000000003 110.413 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 120' ' ' GLY . 36.9 p90 -102.6 -24.58 13.77 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 110.975 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.488 1.117 . . . . 75.540000000000006 110.952 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.513 0.197 . . . . 62.229999999999997 111.019 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 60.7 m -112.8 -40.89 3.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 65.519999999999996 110.007 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 166.03 -34.87 0.24 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.507 1.129 . . . . 43.009999999999998 111.048 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.93 -80.47 1.7 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.006 -0.837 . . . . 53.43 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -77.99 68.63 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 71.129999999999995 109.307 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . 0.43 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 35.1 t0 -61.56 -42.62 99.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 73.319999999999993 109.274 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . 0.589 ' CG ' ' HE2' ' A' ' 27' ' ' HIS . 7.9 t0 -168.03 148.43 4.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.767 ' NE1' HD13 ' A' ' 23' ' ' ILE . 1.1 m0 -87.28 -153.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.978 -1.119 . . . . 73.140000000000001 107.978 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -95.02 159.45 15.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 75.25 110.389 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.28 128.86 55.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.12 . . . . 75.310000000000002 109.653 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.22 123.04 42.08 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 109.335 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.13 139.07 51.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 62.219999999999999 110.016 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.467 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -99.07 23.93 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 53.030000000000001 110.012 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -112.06 -32.0 6.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 71.409999999999997 109.326 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.3 -10.75 59.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 61.520000000000003 110.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 66' ' ' ILE . 17.6 m -65.28 175.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.264 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 64.450000000000003 109.323 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.937 -0.394 . . . . 54.43 109.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 ptp -64.59 154.83 83.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 74.030000000000001 110.968 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -72.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 72.219999999999999 111.105 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -98.69 145.4 26.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 60.340000000000003 110.066 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -85.48 169.3 13.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 71.450000000000003 110.249 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -58.04 163.08 2.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 65.129999999999995 109.27 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.7 p -99.97 149.46 23.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 52.200000000000003 110.368 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 36' ' ' GLU . 59.4 m-85 -41.07 -27.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 75.299999999999997 110.942 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 9' ' ' GLN . 16.6 pttt -80.5 -55.63 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 74.230000000000004 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' CG ' ' A' ' 8' ' ' LYS . 7.8 mm100 -68.8 -62.59 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 60.229999999999997 110.343 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 6' ' ' THR . 21.3 tpt180 -38.19 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 63.539999999999999 110.329 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 122.4 15.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 70.400000000000006 110.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -46.59 114.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 61.509999999999998 109.912 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.2 t80 -36.84 -40.54 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 71.109999999999999 110.997 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -67.01 -60.55 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 72.439999999999998 110.313 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.36 -19.83 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 75.040000000000006 110.281 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.793 HH21 ' HB2' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -85.52 -47.74 9.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 73.109999999999999 110.338 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.995 HG22 ' HA ' ' A' ' 106' ' ' ASP . 74.7 t -52.32 -38.47 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 72.239999999999995 109.306 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ARG . 30.0 tt0 -67.35 -45.93 74.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.549999999999997 110.247 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.56 -39.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 51.310000000000002 109.271 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -71.66 -46.7 61.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.399 1.062 . . . . 71.230000000000004 109.288 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 9.6 ttt85 -42.64 -27.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 73.349999999999994 110.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -70.63 -55.01 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 64.329999999999998 109.356 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.812 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.0 OUTLIER -64.67 -18.8 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 73.030000000000001 109.27 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -78.33 -32.87 49.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 74.040000000000006 110.33 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.01 -9.72 23.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 75.540000000000006 110.281 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -106.72 -51.43 2.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 74.230000000000004 110.291 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ILE . 65.7 m-70 -126.76 73.02 75.24 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.540000000000006 109.572 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -24.65 12.69 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 74.040000000000006 111.016 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.5 p -84.96 10.95 10.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 110.394 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' VAL . 13.2 mmtt -125.31 159.54 31.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 74.25 109.325 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.681 HG23 ' CD2' ' A' ' 99' ' ' TYR . 18.4 mm -110.14 122.94 37.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 63.340000000000003 109.292 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' ' CH2' ' B' ' 338' ' ' TRP . 18.1 Cg_endo -75.07 138.99 23.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 60.009999999999998 110.971 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.69 161.92 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.188 . . . . 41.310000000000002 109.211 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.711 HG23 HG22 ' A' ' 50' ' ' THR . 3.1 mm -139.71 95.55 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 63.119999999999997 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.09 HD13 HD11 ' A' ' 67' ' ' ILE . 6.5 mt -88.11 132.8 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 64.400000000000006 109.268 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 7' ' ' PHE . 2.7 mp0 -134.1 170.79 15.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.349999999999994 110.315 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.82 138.21 36.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 73.239999999999995 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -60.86 138.33 58.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 54.109999999999999 111.035 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 18.3 mtmm -57.28 95.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 73.549999999999997 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.76 20.31 7.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 74.450000000000003 110.994 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 9.2 tp10 -111.31 105.11 13.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 62.140000000000001 110.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -30.06 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 64.400000000000006 109.276 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -41.53 -80.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 65.430000000000007 110.295 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 115' ' ' SER . 5.3 mt -54.84 150.47 18.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.244 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.3 Cg_endo -74.98 167.55 26.81 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.428 1.751 . . . . 72.019999999999996 111.043 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.2 t -83.97 121.0 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 71.25 109.307 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.675 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -40.25 147.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 70.209999999999994 109.277 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.675 ' H ' HD13 ' A' ' 47' ' ' LEU . 31.6 t0 -50.19 -45.9 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 65.120000000000005 109.361 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' CE ' ' OG1' ' B' ' 339' ' ' THR . 0.0 OUTLIER -138.01 -174.13 3.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.607 1.192 . . . . 64.030000000000001 109.29 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.711 HG22 HG23 ' A' ' 34' ' ' ILE . 41.1 m -115.1 -32.96 5.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.619 1.199 . . . . 64.230000000000004 110.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HB3' ' CD2' ' B' ' 338' ' ' TRP . 3.0 mtmm -91.83 132.41 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 74.5 109.286 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.733 ' HB3' HD11 ' B' ' 341' ' ' LEU . 46.3 m-85 -140.23 136.38 33.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 64.540000000000006 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.51 HD21 ' CE3' ' B' ' 338' ' ' TRP . 9.3 mt -103.17 102.99 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 70.040000000000006 109.306 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.743 HG23 ' HD2' ' A' ' 55' ' ' PRO . 1.9 p -94.21 143.79 26.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 54.109999999999999 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 54' ' ' VAL . 18.5 Cg_endo -74.86 126.04 9.8 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.472 1.775 . . . . 72.209999999999994 111.038 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -82.17 51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 73.209999999999994 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 7.2 p-80 -148.0 19.81 1.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 74.420000000000002 109.616 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.5 -161.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 63.399999999999999 109.262 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER -116.57 149.91 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.16 . . . . 54.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.469 ' C ' ' SD ' ' A' ' 60' ' ' MET . 1.1 ppp? -47.29 -26.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 72.030000000000001 110.999 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -55.53 -41.61 73.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 60.520000000000003 110.06 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' LEU . 9.2 mm-40 -56.16 -55.67 30.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 65.319999999999993 110.299 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.944 HD12 HD11 ' A' ' 95' ' ' ILE . 1.9 tt -38.43 -41.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 75.349999999999994 109.336 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 14.7 mm -58.25 -59.78 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 62.299999999999997 109.303 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.503 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 44.0 mtpt -52.3 -21.65 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 65.209999999999994 109.322 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.946 HG21 ' HB3' ' B' ' 341' ' ' LEU . 12.2 mm -82.49 -35.75 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 63.229999999999997 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 1.09 HD11 HD13 ' A' ' 35' ' ' ILE . 16.9 mm -68.76 -69.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.109999999999999 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -40.62 -28.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 75.109999999999999 110.337 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' N ' ' C ' ' A' ' 67' ' ' ILE . 1.5 mmt180 -67.06 -45.56 77.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 73.230000000000004 110.354 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' ILE . 12.9 mmm180 -60.33 -50.35 73.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 71.150000000000006 110.311 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 3.5 mt -62.0 -24.11 66.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 72.230000000000004 109.262 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 24.8 pt20 46.18 41.7 9.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 73.519999999999996 110.269 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.591 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -73.69 -166.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 60.030000000000001 109.34 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -118.38 -175.12 2.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 74.200000000000003 109.308 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.44 -15.18 59.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 44.43 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -83.58 -20.14 34.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 74.340000000000003 109.256 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.591 ' HG2' HD22 ' A' ' 73' ' ' LEU . 48.0 tp60 -91.35 134.98 34.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.299999999999997 110.341 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.74 129.5 49.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 75.299999999999997 109.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.681 ' CE1' HG21 ' A' ' 67' ' ' ILE . 0.9 OUTLIER -130.77 135.2 47.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 75.540000000000006 110.946 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.531 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 16.3 m-85 -143.52 125.95 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 53.43 110.995 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.498 HD22 HG13 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -92.64 120.59 33.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 70.099999999999994 109.318 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 81' ' ' LEU . 3.2 mm? -96.69 106.09 18.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 109.395 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.656 HG12 ' CE1' ' A' ' 86' ' ' HIS . 9.4 t -73.75 107.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 75.329999999999998 109.26 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 102' ' ' GLU . 0.4 OUTLIER 68.92 8.88 7.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 109.25 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.32 6.22 36.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 61.149999999999999 111.01 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.656 ' CE1' HG12 ' A' ' 83' ' ' VAL . 20.7 p80 -126.01 139.15 53.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.387 0.698 . . . . 74.019999999999996 109.645 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 p -57.55 167.18 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 72.540000000000006 110.005 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -123.94 18.18 9.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 111.013 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.455 ' CG1' ' OE1' ' A' ' 117' ' ' GLU . 3.1 m -47.24 -25.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 72.209999999999994 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 91' ' ' VAL . 91.7 p -102.81 39.1 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 43.149999999999999 109.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.645 HG22 ' N ' ' A' ' 92' ' ' SER . 0.2 OUTLIER -39.3 -83.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.353 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.645 ' N ' HG22 ' A' ' 91' ' ' VAL . 2.0 t 38.41 29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.420000000000002 110.028 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 91' ' ' VAL . 53.6 m -152.33 139.91 12.97 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 72.010000000000005 110.444 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 18.5 Cg_endo -74.96 137.01 21.25 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 74.200000000000003 111.007 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.944 HD11 HD12 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -44.53 -32.12 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 74.510000000000005 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 55.0 p -57.64 -44.96 85.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.083 . . . . 73.109999999999999 110.041 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' PRO . 37.4 mt-10 -77.33 -50.69 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 110.266 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.19 -35.32 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 73.030000000000001 109.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.769 ' CD2' HD23 ' A' ' 109' ' ' LEU . 2.1 t80 -78.72 -38.81 38.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 73.420000000000002 111.011 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.239999999999995 110.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 m -118.44 5.5 11.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.149999999999999 110.024 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 103' ' ' ARG . 32.5 mm-40 -133.46 -52.44 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 75.099999999999994 110.326 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -34.59 146.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 73.510000000000005 110.303 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 -175.04 2.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 52.109999999999999 109.255 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -46.89 -43.87 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 74.25 110.221 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.995 ' HA ' HG22 ' A' ' 17' ' ' VAL . 17.9 p-10 -54.54 -47.06 73.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 72.310000000000002 109.321 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 107.53 9.33 29.2 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 33.439999999999998 111.019 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.661 ' CD2' ' CZ ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -99.87 145.57 27.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 0.825 . . . . 73.310000000000002 111.02 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.769 HD23 ' CD2' ' A' ' 99' ' ' TYR . 0.5 OUTLIER -95.42 134.1 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 71.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -114.16 112.32 22.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.439999999999998 110.988 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.535 ' HE2' ' HB3' ' A' ' 109' ' ' LEU . 3.1 mtt -133.33 131.18 39.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 64.010000000000005 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 6.3 t -103.32 128.94 55.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 73.329999999999998 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -108.8 150.72 27.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 73.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -170.74 178.14 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.378 1.049 . . . . 24.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.526 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 29.9 t -90.92 32.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 63.340000000000003 110.02 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -149.58 132.52 16.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 70.450000000000003 110.312 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.531 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 4.6 tt0 -119.18 -6.64 10.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 54.409999999999997 110.308 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.8 p -136.27 18.5 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 61.450000000000003 110.406 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.427 ' CD2' ' N ' ' A' ' 120' ' ' GLY . 7.6 p90 -37.66 -49.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 110.992 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.427 ' N ' ' CD2' ' A' ' 119' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 75.540000000000006 111.095 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.547 0.213 . . . . 62.229999999999997 111.046 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 87.5 p -168.4 156.46 8.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.388 1.055 . . . . 65.519999999999996 110.027 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -54.86 -18.34 11.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 43.009999999999998 111.026 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.52 -131.33 4.45 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.958 -0.857 . . . . 53.43 110.958 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.63 59.59 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 71.129999999999995 109.299 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -101.0 -63.93 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 73.319999999999993 109.282 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.64 108.42 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 74.409999999999997 109.349 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.812 ' NE1' HD13 ' A' ' 23' ' ' ILE . 3.2 m0 -74.23 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 73.140000000000001 108.05 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.499 ' OG1' ' CE ' ' A' ' 49' ' ' LYS . 0.9 OUTLIER -93.62 162.89 13.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 75.25 110.45 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . 0.448 ' C ' HD23 ' B' ' 341' ' ' LEU . 0.0 OUTLIER -112.01 129.78 56.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 75.310000000000002 109.614 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.946 ' HB3' HG21 ' A' ' 66' ' ' ILE . 7.9 mt -102.81 109.1 20.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 73.230000000000004 109.318 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.506 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -111.16 132.17 54.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 62.219999999999999 109.986 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.485 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.2 t -92.87 15.58 14.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 53.030000000000001 110.019 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.469 ' CE ' ' HB3' ' B' ' 342' ' ' SER . 0.0 OUTLIER -101.44 -26.45 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 71.409999999999997 109.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.96 -1.36 49.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 61.520000000000003 110.264 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.708 ' CG1' HD13 ' A' ' 66' ' ' ILE . 17.8 m -71.01 -175.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 109.341 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.412 1.07 . . . . 64.450000000000003 109.365 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.953 -0.388 . . . . 54.43 109.953 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.75 154.18 44.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 74.030000000000001 111.0 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -83.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.546 1.813 . . . . 72.219999999999999 111.0 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p -75.88 121.23 22.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 60.340000000000003 110.059 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -121.89 126.97 49.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 71.450000000000003 110.273 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -51.32 177.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 65.129999999999995 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 9' ' ' GLN . 16.9 p -113.5 157.52 21.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 52.200000000000003 110.455 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.529 ' HD2' HH21 ' A' ' 16' ' ' ARG . 21.9 m-85 -39.25 -41.67 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 75.299999999999997 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -56.56 -45.93 81.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 74.230000000000004 109.248 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 6' ' ' THR . 5.1 mt-30 -86.99 -66.57 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 60.229999999999997 110.324 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' THR . 47.3 tpt85 -38.84 -82.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 63.539999999999999 110.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -41.15 131.03 2.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 70.400000000000006 110.346 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -51.87 127.75 21.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 1.07 . . . . 61.509999999999998 109.999 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.048 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -46.83 -64.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 71.109999999999999 111.048 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 17' ' ' VAL . 89.8 mt-10 -52.18 -20.15 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.451 1.094 . . . . 72.439999999999998 110.249 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HB2' ' CB ' ' A' ' 12' ' ' SER . 3.2 mm-40 -84.9 -30.34 24.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 75.040000000000006 110.269 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.529 HH21 ' HD2' ' A' ' 7' ' ' PHE . 5.4 mmt-85 -90.68 -18.33 25.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 110.323 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.048 HG13 ' O ' ' A' ' 13' ' ' PHE . 2.3 m -82.26 -39.39 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 72.239999999999995 109.319 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -64.31 -24.4 67.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 74.549999999999997 110.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -64.27 -61.38 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 51.310000000000002 109.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -50.54 -44.88 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 71.230000000000004 109.276 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 42.1 ttt180 -43.36 -33.7 1.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 73.349999999999994 110.255 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 22' ' ' LEU . 2.3 mt -64.69 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 64.329999999999998 109.317 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.881 HG12 HD21 ' A' ' 53' ' ' LEU . 1.2 mp -56.32 -22.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.578 1.173 . . . . 73.030000000000001 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -29.37 63.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 74.040000000000006 110.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -100.66 -18.66 16.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.574 1.171 . . . . 75.540000000000006 110.184 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -98.3 -54.92 2.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 74.230000000000004 110.333 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' CG ' HD13 ' A' ' 53' ' ' LEU . 11.8 m-70 -117.37 79.94 12.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.540000000000006 109.61 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.5 7.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 74.040000000000006 110.992 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.4 p -89.74 28.59 1.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 72.209999999999994 110.443 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -136.35 151.83 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 74.25 109.266 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.558 HG13 HG23 ' A' ' 95' ' ' ILE . 46.2 mm -99.24 111.9 62.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 63.340000000000003 109.338 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 133.96 17.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.488 1.783 . . . . 60.009999999999998 111.025 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 1.1 m -141.48 156.33 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 41.310000000000002 109.295 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -132.6 99.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 63.119999999999997 109.352 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.997 HD11 HD11 ' A' ' 63' ' ' LEU . 13.5 mt -92.82 128.5 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.633 ' OE1' HG23 ' A' ' 50' ' ' THR . 15.9 mm-40 -126.19 171.57 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 110.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -80.53 136.33 36.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 73.239999999999995 110.287 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.495 ' HB2' ' CG1' ' A' ' 112' ' ' VAL . 12.2 t80 -65.3 145.06 56.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.537 1.148 . . . . 54.109999999999999 110.964 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' O ' ' CE1' ' A' ' 38' ' ' TYR . 5.9 mtmp? -69.25 96.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.549999999999997 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.9 17.92 7.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.57 1.169 . . . . 74.450000000000003 110.994 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 38' ' ' TYR . 1.9 tm-20 -109.33 106.51 16.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 62.140000000000001 110.303 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -35.77 4.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 64.400000000000006 109.309 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -39.05 -73.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 65.430000000000007 110.368 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 115' ' ' SER . 2.7 mt -60.08 149.48 74.39 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.52 1.137 . . . . 74.319999999999993 109.25 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.95 167.29 27.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.478 1.778 . . . . 72.019999999999996 111.006 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -78.94 136.62 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 71.25 109.266 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD13 ' H ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -61.91 152.33 32.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 70.209999999999994 109.242 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 1.1 t0 -67.51 -37.39 82.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 65.120000000000005 109.292 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -127.43 -170.03 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 64.030000000000001 109.265 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.633 HG23 ' OE1' ' A' ' 36' ' ' GLU . 73.4 m -122.49 -38.79 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 64.230000000000004 110.345 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.583 ' HB2' ' CE3' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -106.34 150.12 26.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.5 109.22 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.768 ' HA ' HG22 ' B' ' 339' ' ' THR . 10.8 m-85 -140.0 145.41 37.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.1 . . . . 64.540000000000006 110.948 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.881 HD21 HG12 ' A' ' 23' ' ' ILE . 31.0 mt -102.81 104.23 14.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 70.040000000000006 109.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.907 HG11 HD13 ' A' ' 95' ' ' ILE . 2.2 t -90.77 142.32 27.63 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 54.109999999999999 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.617 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -74.97 127.11 10.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 72.209999999999994 110.99 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 12.5 p-10 -75.83 59.32 1.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.209999999999994 109.325 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' ND1' HG13 ' A' ' 58' ' ' VAL . 10.4 p80 -165.36 30.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 74.420000000000002 109.58 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.433 HG13 ' ND1' ' A' ' 57' ' ' HIS . 18.0 m -147.35 -162.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 63.399999999999999 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -114.09 164.04 14.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 54.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.759 ' HA ' HD12 ' A' ' 95' ' ' ILE . 3.1 ppp? -57.98 -29.12 64.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 72.030000000000001 111.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.914 ' HA ' HD12 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -55.17 -47.23 75.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 60.520000000000003 110.047 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 65' ' ' LYS . 46.9 mm-40 -43.09 -54.42 4.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 65.319999999999993 110.314 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.997 HD11 HD11 ' A' ' 35' ' ' ILE . 4.3 tp -39.94 -43.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.41 1.069 . . . . 75.349999999999994 109.334 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 61' ' ' SER . 3.6 mt -68.34 -46.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 62.299999999999997 109.322 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLU . 27.1 mtpp -51.76 -24.62 6.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 65.209999999999994 109.352 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.758 HG21 HD22 ' B' ' 341' ' ' LEU . 1.8 mm -89.51 -39.85 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 63.229999999999997 109.262 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.948 HD11 HD13 ' A' ' 35' ' ' ILE . 16.7 mm -58.89 -66.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 74.109999999999999 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HE ' HG22 ' A' ' 64' ' ' ILE . 14.9 ptp180 -47.53 -28.22 2.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 75.109999999999999 110.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.95 -36.35 67.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 110.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' NE ' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -71.5 -42.41 68.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 71.150000000000006 110.333 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 72' ' ' GLN . 64.6 mt -73.35 -5.18 38.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 72.230000000000004 109.308 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 23.8 pt20 45.64 41.04 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.519999999999996 110.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 77' ' ' GLN . 28.1 mt -71.89 172.85 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 60.030000000000001 109.245 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -122.1 -176.07 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 74.200000000000003 109.294 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.53 -12.64 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 44.43 109.299 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.44 ' C ' ' ND2' ' A' ' 76' ' ' ASN . 1.1 p-10 -86.74 -27.69 23.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.340000000000003 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.906 ' HG2' HD22 ' A' ' 73' ' ' LEU . 52.4 tp60 -87.63 142.32 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 75.299999999999997 110.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.482 ' O ' HD21 ' A' ' 44' ' ' LEU . . . -110.3 146.87 34.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 75.299999999999997 109.312 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -156.88 145.01 19.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 110.996 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 63.9 m-85 -143.31 122.7 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 53.43 111.032 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 109.53 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 70.099999999999994 109.311 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 87' ' ' SER . 3.5 mm? -88.48 108.14 19.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 74.120000000000005 109.29 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.855 HG22 ' SD ' ' A' ' 111' ' ' MET . 12.1 t -77.93 111.08 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 75.329999999999998 109.265 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 66.96 10.65 7.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.329999999999998 109.317 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.59 9.63 40.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.45 1.094 . . . . 61.149999999999999 111.035 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.659 ' CE1' HG12 ' A' ' 83' ' ' VAL . 8.7 p80 -129.05 137.42 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 74.019999999999996 109.543 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.678 ' HB2' HG13 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -57.96 170.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 72.540000000000006 110.039 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.411 ' HB3' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -115.69 20.71 14.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 110.962 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 87' ' ' SER . 3.6 m -42.2 128.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 72.209999999999994 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' SER . 8.0 m 73.36 38.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 43.149999999999999 110.022 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.562 HG23 ' HG3' ' A' ' 60' ' ' MET . 0.2 OUTLIER -39.51 97.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.266 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' SER . 3.6 m -120.31 11.86 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 109.977 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.732 HG22 HG23 ' A' ' 98' ' ' VAL . 86.8 m -127.85 128.62 23.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 72.010000000000005 110.397 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 18.2 Cg_endo -75.06 143.82 29.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 74.200000000000003 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.907 HD13 HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -45.0 -27.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.323 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.9 t -63.75 -44.87 92.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 73.109999999999999 109.973 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 101' ' ' SER . 30.0 mm-40 -82.52 -49.91 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 74.430000000000007 110.328 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.732 HG23 HG22 ' A' ' 93' ' ' THR . 24.2 t -48.29 -25.89 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.030000000000001 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.633 ' HA ' HD21 ' A' ' 109' ' ' LEU . 46.9 t80 -79.6 -49.84 11.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 73.420000000000002 111.009 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -78.93 -3.31 44.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.411 1.07 . . . . 74.239999999999995 110.306 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.9 m -112.79 4.82 17.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 63.149999999999999 110.035 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 98' ' ' VAL . 7.5 mm-40 -138.07 -52.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 75.099999999999994 110.365 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 7.4 ppt_? -34.77 151.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 73.510000000000005 110.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER -116.91 -174.51 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 52.109999999999999 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 104' ' ' ASP . 22.5 mt-10 -37.0 -56.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 74.25 110.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.995 ' HB3' HG12 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -44.92 -48.64 11.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.078 . . . . 72.310000000000002 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ASP . . . 103.2 -0.32 47.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 33.439999999999998 111.035 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.777 ' CZ ' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -96.84 135.38 38.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.559 0.8 . . . . 73.310000000000002 110.92 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.633 HD21 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -78.33 136.1 37.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 71.0 109.222 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.562 ' CD1' ' HB3' ' A' ' 8' ' ' LYS . 76.1 m-85 -121.29 113.99 20.71 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.986 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.855 ' SD ' HG22 ' A' ' 83' ' ' VAL . 3.6 mtt -136.65 142.45 43.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 64.010000000000005 111.008 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 38' ' ' TYR . 7.1 t -110.44 141.15 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 73.329999999999998 109.357 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.438 ' HB2' ' CE2' ' A' ' 79' ' ' PHE . 4.5 p90 -118.98 152.71 35.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.0 110.984 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.4 ' C ' ' CD1' ' A' ' 44' ' ' LEU . . . -173.0 178.34 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 24.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.483 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 t -90.68 30.5 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 63.340000000000003 109.919 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' A' ' 119' ' ' PHE . 3.0 pt20 -150.01 130.23 13.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 70.450000000000003 110.292 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 80' ' ' PHE . 3.1 tt0 -111.94 -12.14 13.79 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 54.409999999999997 110.261 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 117' ' ' GLU . 34.9 p -129.77 82.23 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 61.450000000000003 110.414 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.414 ' HB3' ' NE2' ' A' ' 116' ' ' GLN . 22.8 p90 -112.74 -29.86 7.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 75.129999999999995 111.027 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 75.540000000000006 110.966 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.478 0.18 . . . . 62.229999999999997 111.069 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 15.1 m -137.95 172.89 12.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 65.519999999999996 110.048 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.63 -55.89 0.6 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.133 . . . . 43.009999999999998 111.02 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.78 143.2 14.09 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.035 -0.826 . . . . 53.43 111.035 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' B' ' 337' ' ' ASP . 2.3 m-20 -74.97 -21.65 59.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 0.762 . . . . 71.129999999999995 109.281 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' B' ' 337' ' ' ASP . 25.5 t0 46.78 27.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.071 . . . . 73.319999999999993 109.34 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' B' ' 336' ' ' ASP . 0.0 OUTLIER 156.74 128.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 74.409999999999997 109.245 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.849 ' CE2' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -94.92 -154.28 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 108.009 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.768 HG22 ' HA ' ' A' ' 52' ' ' PHE . 14.6 t -89.86 147.17 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 75.25 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.5 114.99 29.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 75.310000000000002 109.548 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 0.758 HD22 HG21 ' A' ' 66' ' ' ILE . 6.4 mt -78.17 112.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 73.230000000000004 109.354 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' B' ' 343' ' ' SER . 0.8 OUTLIER -70.48 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 62.219999999999999 109.994 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.699 ' O ' HG22 ' B' ' 346' ' ' VAL . 1.1 m 86.82 -9.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 53.030000000000001 109.959 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -28.04 15.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 71.409999999999997 109.325 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.53 -6.77 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 61.520000000000003 110.321 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.699 HG22 ' O ' ' B' ' 343' ' ' SER . 22.8 m -64.94 175.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 73.120000000000005 109.25 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . . . . . . . . . 5.8 t0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 64.450000000000003 109.304 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.013 -0.365 . . . . 54.43 110.013 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtp -53.48 152.96 8.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 74.030000000000001 111.018 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -79.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 72.219999999999999 110.97 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -100.25 -177.64 3.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 60.340000000000003 110.026 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -138.82 178.34 7.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.450000000000003 110.309 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -88.41 174.44 8.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 65.129999999999995 109.342 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' GLN . 1.3 p -99.48 149.44 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 52.200000000000003 110.399 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.655 ' CZ ' HG21 ' A' ' 50' ' ' THR . 39.5 m-85 -35.49 -34.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 75.299999999999997 111.042 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 6' ' ' THR . 11.8 pttt -67.43 -54.5 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' THR . 38.5 mt-30 -72.28 -57.05 4.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 60.229999999999997 110.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.518 ' C ' ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -35.31 -71.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 63.539999999999999 110.229 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -77.08 135.46 38.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 70.400000000000006 110.267 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' GLN . 4.2 m -75.82 122.92 24.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 61.509999999999998 109.994 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.1 t80 -37.59 -63.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 71.109999999999999 111.015 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.43 -38.87 1.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 110.328 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' SER . 1.2 tp-100 -74.99 -40.54 60.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 110.298 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' PHE . 26.5 mtp85 -64.85 -27.02 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 73.109999999999999 110.362 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.879 HG22 ' HA ' ' A' ' 106' ' ' ASP . 90.1 t -76.53 -32.88 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.239999999999995 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -78.63 -35.74 45.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 110.272 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -52.46 65.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 51.310000000000002 109.235 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -56.76 -40.89 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 71.230000000000004 109.305 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -40.23 -35.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 73.349999999999994 110.243 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -50.78 63.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 64.329999999999998 109.32 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.854 HD13 ' NE1' ' B' ' 338' ' ' TRP . 1.1 tp -65.6 -24.18 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 73.030000000000001 109.275 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -32.77 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.040000000000006 110.281 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -97.53 -19.56 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 75.540000000000006 110.235 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -90.94 -58.8 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 74.230000000000004 110.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -119.91 79.1 24.34 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 74.540000000000006 109.606 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.23 6.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 74.040000000000006 110.98 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.4 p -89.99 30.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 72.209999999999994 110.347 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 55' ' ' PRO . 8.6 mmtp -136.03 149.77 48.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 74.25 109.354 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 96' ' ' SER . 20.4 mm -98.34 112.76 62.99 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 63.340000000000003 109.336 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.552 ' HB3' HG21 ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.04 139.19 23.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.456 1.766 . . . . 60.009999999999998 110.993 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG22 ' HB2' ' A' ' 52' ' ' PHE . 2.7 m -146.29 161.49 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 41.310000000000002 109.331 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.455 ' CG2' ' OE1' ' A' ' 36' ' ' GLU . 2.8 mm -129.79 101.81 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 63.119999999999997 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.572 HG22 ' HD2' ' A' ' 113' ' ' TYR . 2.5 mm -86.27 118.95 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 64.400000000000006 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.551 ' HG2' ' CD2' ' A' ' 7' ' ' PHE . 34.4 mt-10 -125.76 154.66 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 73.349999999999994 110.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -71.68 137.94 48.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 73.239999999999995 110.366 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.791 ' HB3' ' HB2' ' A' ' 114' ' ' ALA . 1.2 t80 -62.37 145.18 54.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 54.109999999999999 110.984 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -59.19 98.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.549999999999997 109.327 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.84 13.0 11.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 74.450000000000003 110.956 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' OE1' ' HB1' ' A' ' 114' ' ' ALA . 8.8 tp10 -86.32 104.84 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 0.8 . . . . 62.140000000000001 110.353 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -28.85 7.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 64.400000000000006 109.278 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -62.21 -74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 65.430000000000007 110.348 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 115' ' ' SER . 2.5 mm? -54.56 150.96 15.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' HD22 ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.96 179.52 5.99 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.527 1.803 . . . . 72.019999999999996 111.02 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.6 19.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 71.25 109.288 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.621 HD23 HD21 ' A' ' 71' ' ' LEU . 0.2 OUTLIER 59.03 155.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 70.209999999999994 109.256 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.566 ' H ' HD13 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -75.37 -7.83 55.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 65.120000000000005 109.234 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 159.87 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 64.030000000000001 109.27 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.655 HG21 ' CZ ' ' A' ' 7' ' ' PHE . 3.1 m -105.73 -26.67 11.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 64.230000000000004 110.359 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 11.0 mtmm -93.27 138.2 31.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 74.5 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.822 ' HA ' HG22 ' B' ' 339' ' ' THR . 14.2 m-85 -139.88 148.1 41.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 64.540000000000006 111.066 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.683 HD21 HG12 ' A' ' 23' ' ' ILE . 26.4 mt -119.04 104.38 10.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 70.040000000000006 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.713 HG11 HD13 ' A' ' 95' ' ' ILE . 2.3 t -91.98 141.99 25.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 54.109999999999999 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.592 ' HD2' HG12 ' A' ' 54' ' ' VAL . 18.1 Cg_endo -75.03 136.27 20.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.801 . . . . 72.209999999999994 110.974 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 4.2 p-10 -83.98 49.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 73.209999999999994 109.352 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 55' ' ' PRO . 17.8 p80 -155.85 27.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 74.420000000000002 109.592 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 m -143.0 -160.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 63.399999999999999 109.285 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.497 ' H ' ' ND2' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -121.93 158.54 28.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 54.0 109.208 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.616 ' CE ' HG21 ' A' ' 83' ' ' VAL . 2.5 ppp? -54.45 -21.86 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 72.030000000000001 111.022 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.672 ' CB ' HG21 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -62.56 -29.92 70.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 60.520000000000003 110.038 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.27 -61.06 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 65.319999999999993 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.676 HD12 HG12 ' A' ' 67' ' ' ILE . 3.2 tp -44.17 -28.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.349999999999994 109.362 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 1.8 mm -73.65 -54.78 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 62.299999999999997 109.293 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HA ' ' CD ' ' A' ' 68' ' ' ARG . 42.3 mttt -58.32 -26.26 62.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 65.209999999999994 109.311 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.03 HG21 HD13 ' B' ' 341' ' ' LEU . 2.7 mm -77.8 -60.47 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 63.229999999999997 109.318 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.676 HG12 HD12 ' A' ' 63' ' ' LEU . 16.0 mm -43.4 -61.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 74.109999999999999 109.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 22.9 ptt180 -50.42 -40.49 50.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 75.109999999999999 110.327 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.69 HH21 ' HB2' ' B' ' 347' ' ' ASP . 3.9 mmt180 -66.58 -31.41 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -34.28 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 71.150000000000006 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.626 HD22 ' HD2' ' A' ' 45' ' ' PRO . 2.7 mt -81.8 -19.38 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 72.230000000000004 109.356 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' CG ' ' C ' ' A' ' 71' ' ' LEU . 7.9 pt20 40.21 44.97 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 110.271 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.626 HD22 ' HG2' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -76.49 176.72 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 60.030000000000001 109.325 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 -112.0 166.78 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 74.200000000000003 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -49.02 -43.67 40.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 44.43 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -50.66 -36.14 34.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.340000000000003 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.626 ' HG2' HD22 ' A' ' 73' ' ' LEU . 51.1 tp60 -89.13 138.19 31.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 75.299999999999997 110.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.59 138.86 45.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 75.299999999999997 109.265 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 68' ' ' ARG . 2.1 t80 -130.97 127.63 38.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 111.068 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CG ' ' HB2' ' A' ' 117' ' ' GLU . 18.3 m-85 -134.13 116.29 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 53.43 110.963 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.628 ' C ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -90.49 123.26 34.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 70.099999999999994 109.239 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.711 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.51 116.12 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 74.120000000000005 109.275 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.616 HG21 ' CE ' ' A' ' 60' ' ' MET . 2.5 t -84.78 109.56 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 75.329999999999998 109.308 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.57 10.41 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 73.329999999999998 109.345 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.85 4.79 45.19 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.147 . . . . 61.149999999999999 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 83' ' ' VAL . 21.5 p80 -127.02 131.07 51.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 0.803 . . . . 74.019999999999996 109.64 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.501 ' CA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -57.53 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 72.540000000000006 109.991 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.441 ' C ' ' N ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -113.62 41.64 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 73.310000000000002 111.01 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.643 HG12 ' OE2' ' A' ' 117' ' ' GLU . 3.1 m -38.38 -31.81 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 72.209999999999994 109.282 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 88' ' ' MET . 1.8 m -123.74 102.62 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 43.149999999999999 110.058 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.672 HG21 ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -108.01 88.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 73.430000000000007 109.278 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -127.08 18.51 7.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 110.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.638 HG22 HG23 ' A' ' 98' ' ' VAL . 15.5 m -128.02 145.14 54.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.010000000000005 110.467 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 93' ' ' THR . 18.4 Cg_endo -75.0 138.47 23.07 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 74.200000000000003 110.978 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.713 HD13 HG11 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -47.06 -25.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 74.510000000000005 109.336 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.477 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 79.1 p -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 73.109999999999999 110.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' PRO . 36.9 mt-10 -80.88 -54.6 5.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 74.430000000000007 110.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.638 HG23 HG22 ' A' ' 93' ' ' THR . 7.4 t -43.37 -31.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 73.030000000000001 109.312 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.503 ' HA ' HD11 ' A' ' 109' ' ' LEU . 1.3 t80 -81.09 -45.42 16.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.32 -4.36 29.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 74.239999999999995 110.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.9 m -112.89 -6.99 13.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 63.149999999999999 109.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 103' ' ' ARG . 14.2 mm-40 -124.79 -57.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 75.099999999999994 110.304 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -36.77 151.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 73.510000000000005 110.264 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.44 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 1.1 m-20 -102.58 -178.86 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 52.109999999999999 109.337 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -49.41 -42.55 42.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 74.25 110.308 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.879 ' HA ' HG22 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -44.75 -45.96 10.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 72.310000000000002 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.67 13.65 29.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 33.439999999999998 111.024 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.787 ' CE1' ' CH2' ' B' ' 338' ' ' TRP . 0.1 OUTLIER -115.35 130.93 57.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 73.310000000000002 110.972 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 109' ' ' LEU . 2.5 mt -83.37 141.35 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 71.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.12 112.49 20.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 75.439999999999998 111.023 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.555 ' SD ' HD21 ' A' ' 63' ' ' LEU . 19.6 mtt -124.31 152.84 42.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 64.010000000000005 110.955 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' CA ' ' A' ' 38' ' ' TYR . 2.6 t -129.05 127.08 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.378 1.049 . . . . 73.329999999999998 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.572 ' HD2' HG22 ' A' ' 35' ' ' ILE . 18.2 p90 -115.67 154.65 29.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 73.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.791 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -169.03 179.75 3.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 24.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.463 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -87.15 23.56 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 63.340000000000003 109.997 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -148.59 149.71 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 70.450000000000003 110.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.643 ' OE2' HG12 ' A' ' 89' ' ' VAL . 4.9 tt0 -123.86 -1.43 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 54.409999999999997 110.231 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.1 p -136.63 88.03 2.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 61.450000000000003 110.415 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 119' ' ' PHE . 2.7 p90 -116.55 -31.88 5.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 75.129999999999995 110.974 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 75.540000000000006 111.018 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' MET . . . . . . . . . . . . . 2.9 ptp . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.593 0.235 . . . . 62.229999999999997 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' SER . . . . . . . . . . . . . 2.6 p -128.7 47.08 2.5 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.098 . . . . 65.519999999999996 109.936 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' GLY . . . . . . . . . . . . . . . -74.51 106.71 2.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.563 1.165 . . . . 43.009999999999998 111.004 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 68.52 148.91 0.21 Allowed Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.022 -0.831 . . . . 53.43 111.022 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.87 13.03 9.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 0.747 . . . . 71.129999999999995 109.305 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -47.69 -29.42 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 73.319999999999993 109.264 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -132.81 112.57 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 74.409999999999997 109.329 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' TRP . . . . . 0.854 ' NE1' HD13 ' A' ' 23' ' ' ILE . 5.8 m0 -62.93 -153.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 73.140000000000001 108.043 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' THR . . . . . 0.822 HG22 ' HA ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -85.83 -171.14 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 75.25 110.377 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' HIS . . . . . 0.65 ' N ' HG23 ' B' ' 339' ' ' THR . 0.0 OUTLIER -137.95 115.87 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 75.310000000000002 109.615 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' LEU . . . . . 1.03 HD13 HG21 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -89.58 97.14 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 73.230000000000004 109.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 0.7 OUTLIER -97.85 121.37 39.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 62.219999999999999 110.014 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' SER . . . . . 0.684 ' O ' HG22 ' B' ' 346' ' ' VAL . 2.6 p -78.01 -1.07 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 53.030000000000001 110.021 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' B' ' 344' ' ' LYS . 0.0 OUTLIER -92.13 -27.22 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 71.409999999999997 109.355 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -80.64 -1.89 44.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 61.520000000000003 110.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' VAL . . . . . 0.684 HG22 ' O ' ' B' ' 343' ' ' SER . 3.6 m -81.5 178.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 73.120000000000005 109.299 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' ASP . . . . . 0.69 ' HB2' HH21 ' A' ' 69' ' ' ARG . 20.3 t0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 64.450000000000003 109.36 179.975 . . . . . . . . 1 1 . 1 stop_ save_